3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine

C174H334N24O24S7 — CID 159952392

About 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine

3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine (PubChem CID 159952392) has the molecular formula C174H334N24O24S7 and a molecular weight of 3371.20 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine.

Molecular Properties

• Compound Name: 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine
• PubChem CID: 159952392
• Molecular Formula: C174H334N24O24S7
• Molecular Weight: 3371.20 g/mol
• Exact Mass: 3368.37
• IUPAC Name: 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine
• SMILES: C1=CCCC1.C1=CNCCC1.C1=CNCCC1.C1=CSC=CN1.C1=NCCC1.C1=NCCO1.C1CC1.C1CC2(CCN1)CCNC2.C1CC2CNCC2O1.C1CCC1.C1CCC1.C1CCC2(CC1)CNCCO2.C1CCCC1.C1CCCCCC1.C1CCCNCC1.C1CCCOCC1.C1CCNCC1.C1CCOC1.C1CCSC1.C1CNNC1.C1COCCN1.C1CSCCN1.C1NCC2CC12.CNCC1CC1.CNCCC1(C)CCC1.O=C1CCCCCC1.O=C1CCCCNC1.O=C1CCCN1.O=C1CCCNC1.O=C1CCCO1.O=C1CCCS1.O=C1NCCCO1.O=C1OCCO1.O=S1(=O)CCCC1.O=S1(=O)CCCN1.O=S1(=O)CCNCC1
• InChI: InChI=1S/C9H17NO.C8H16N2.C8H17N.C7H12O.C7H14.2C6H11NO.C6H13N.C6H12O.C5H9NO.C5H9N.2C5H11N.2C5H9N.C5H10.C5H8.C4H9NO2S.C4H7NO2.C4H9NO.C4H7NO.C4H9NS.C4H5NS.C4H7N.C4H8O2S.C4H6O2.C4H6OS.C4H8O.C4H8S.2C4H8.C3H8N2.C3H7NO2S.C3H5NO.C3H4O3.C3H6/c1-2-4-9(5-3-1)8-10-6-7-11-9;1-4-9-5-2-8(1)3-6-10-7-8;1-8(4-3-5-8)6-7-9-2;8-7-5-3-1-2-4-6-7;1-2-4-6-7-5-3-1;1-2-8-6-4-7-3-5(1)6;8-6-3-1-2-4-7-5-6;2*1-2-4-6-7-5-3-1;7-5-2-1-3-6-4-5;1-4-2-6-3-5(1)4;1-6-4-5-2-3-5;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;6-4-5-2-1-3-7-4;1-3-6-4-2-5-1;6-4-2-1-3-5-4;2*1-3-6-4-2-5-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;2*5-4-2-1-3-6-4;2*1-2-4-5-3-1;2*1-2-4-3-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-5-3-4-1;4-3-5-1-2-6-3;1-2-3-1/h10H,1-8H2;9-10H,1-7H2;9H,3-7H2,1-2H3;1-6H2;1-7H2;5-7H,1-4H2;7H,1-5H2;7H,1-6H2;1-6H2;6H,1-4H2;4-6H,1-3H2;5-6H,2-4H2,1H3;6H,1-5H2;2*2,4,6H,1,3,5H2;1-5H2;1-2H,3-5H2;5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-5H;3H,1-2,4H2;1-4H2;2*1-3H2;2*1-4H2;2*1-4H2;4-5H,1-3H2;4H,1-3H2;3H,1-2H2;1-2H2;1-3H2
• InChIKey: OCHAICAEKDBVJM-UHFFFAOYSA-N
• XLogP: 26.33
• TPSA: 620.66 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 49
• Rotatable Bonds: 5
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3371.20
LogP ≤ 5	26.33
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine?

The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine (CID 159952392) is 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine.

What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine?

The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine is C1=CCCC1.C1=CNCCC1.C1=CNCCC1.C1=CSC=CN1.C1=NCCC1.C1=NCCO1.C1CC1.C1CC2(CCN1)CCNC2.C1CC2CNCC2O1.C1CCC1.C1CCC1.C1CCC2(CC1)CNCCO2.C1CCCC1.C1CCCCCC1.C1CCCNCC1.C1CCCOCC1.C1CCNCC1.C1CCOC1.C1CCSC1.C1CNNC1.C1COCCN1.C1CSCCN1.C1NCC2CC12.CNCC1CC1.CNCCC1(C)CCC1.O=C1CCCCCC1.O=C1CCCCNC1.O=C1CCCN1.O=C1CCCNC1.O=C1CCCO1.O=C1CCCS1.O=C1NCCCO1.O=C1OCCO1.O=S1(=O)CCCC1.O=S1(=O)CCCN1.O=S1(=O)CCNCC1.

What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine?

The InChIKey is OCHAICAEKDBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H16N2.C8H17N.C7H12O.C7H14.2C6H11NO.C6H13N.C6H12O.C5H9NO.C5H9N.2C5H11N.2C5H9N.C5H10.C5H8.C4H9NO2S.C4H7NO2.C4H9NO.C4H7NO.C4H9NS.C4H5NS.C4H7N.C4H8O2S.C4H6O2.C4H6OS.C4H8O.C4H8S.2C4H8.C3H8N2.C3H7NO2S.C3H5NO.C3H4O3.C3H6/c1-2-4-9(5-3-1)8-10-6-7-11-9;1-4-9-5-2-8(1)3-6-10-7-8;1-8(4-3-5-8)6-7-9-2;8-7-5-3-1-2-4-6-7;1-2-4-6-7-5-3-1;1-2-8-6-4-7-3-5(1)6;8-6-3-1-2-4-7-5-6;2*1-2-4-6-7-5-3-1;7-5-2-1-3-6-4-5;1-4-2-6-3-5(1)4;1-6-4-5-2-3-5;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;6-4-5-2-1-3-7-4;1-3-6-4-2-5-1;6-4-2-1-3-5-4;2*1-3-6-4-2-5-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;2*5-4-2-1-3-6-4;2*1-2-4-5-3-1;2*1-2-4-3-1;1-2-4-5-3-1;5-7(6)3-1-2-4-7;1-2-5-3-4-1;4-3-5-1-2-6-3;1-2-3-1/h10H,1-8H2;9-10H,1-7H2;9H,3-7H2,1-2H3;1-6H2;1-7H2;5-7H,1-4H2;7H,1-5H2;7H,1-6H2;1-6H2;6H,1-4H2;4-6H,1-3H2;5-6H,2-4H2,1H3;6H,1-5H2;2*2,4,6H,1,3,5H2;1-5H2;1-2H,3-5H2;5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-5H;3H,1-2,4H2;1-4H2;2*1-3H2;2*1-4H2;2*1-4H2;4-5H,1-3H2;4H,1-3H2;3H,1-2H2;1-2H2;1-3H2.

What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine?

3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine has a molecular weight of 3371.20 g/mol, XLogP of 26.33, 5 rotatable bonds, 22 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;3-azabicyclo[3.1.0]hexane;azepane;azepan-3-one;cyclobutane;cycloheptane;cycloheptanone;cyclopentane;cyclopentene;cyclopropane;1-cyclopropyl-N-methylmethanamine;2,8-diazaspiro[4.5]decane;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;1,3-dioxolan-2-one;N-methyl-2-(1-methylcyclobutyl)ethanamine;morpholine;1-oxa-4-azaspiro[5.5]undecane;1,3-oxazinan-2-one;oxepane;oxolane;oxolan-2-one;piperidine;piperidin-3-one;pyrazolidine;pyrrolidin-2-one;bis(1,2,3,4-tetrahydropyridine);1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide;thiolan-2-one;thiomorpholine is sourced from PubChem (CID 159952392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).