cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine

C131H247N13O19S5 — CID 165066252

About cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine

cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine (PubChem CID 165066252) has the molecular formula C131H247N13O19S5 and a molecular weight of 2468.82 g/mol. Its IUPAC name is cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine.

Molecular Properties

• Compound Name: cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine
• PubChem CID: 165066252
• Molecular Formula: C131H247N13O19S5
• Molecular Weight: 2468.82 g/mol
• Exact Mass: 2466.74
• IUPAC Name: cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine
• SMILES: C1=CCCC1.C1=CNCCC1.C1=CSC=CN1.C1=NCCC1.C1=NCCO1.C1CCC1.C1CCC1.C1CCCC1.C1CCCCCC1.C1CCCCCC1.C1CCCOCC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCSC1.C1CO1.C1COCCN1.C1CSCCN1.O=C1CCCC1.O=C1CCCC1.O=C1CCCC1.O=C1CCCCN1.O=C1CCCN1.O=C1CCCNC1.O=C1CCCO1.O=C1CCCO1.O=S1(=O)CCCC1.O=S1(=O)CCNCC1
• InChI: InChI=1S/2C7H14.C6H12O.2C5H9NO.2C5H11N.C5H9N.3C5H8O.C5H10.C5H8.C4H9NO2S.C4H9NO.C4H7NO.C4H9NS.C4H5NS.C4H9N.C4H7N.C4H8O2S.2C4H6O2.C4H8O.C4H8S.2C4H8.C3H5NO.C2H4O/c3*1-2-4-6-7-5-3-1;7-5-2-1-3-6-4-5;7-5-3-1-2-4-6-5;3*1-2-4-6-5-3-1;3*6-5-3-1-2-4-5;2*1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;6-4-2-1-3-5-4;2*1-3-6-4-2-5-1;2*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;1-2-5-3-4-1;1-2-3-1/h2*1-7H2;1-6H2;6H,1-4H2;1-4H2,(H,6,7);2*6H,1-5H2;2,4,6H,1,3,5H2;3*1-4H2;1-5H2;1-2H,3-5H2;5H,1-4H2;5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-5H;5H,1-4H2;3H,1-2,4H2;1-4H2;2*1-3H2;2*1-4H2;2*1-4H2;3H,1-2H2;1-2H2
• InChIKey: RZYMULCLXGLSQC-UHFFFAOYSA-N
• XLogP: 24.38
• TPSA: 429.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2468.82
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine?

The IUPAC name of cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine (CID 165066252) is cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine.

What is the SMILES notation for cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine?

The canonical SMILES for cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine is C1=CCCC1.C1=CNCCC1.C1=CSC=CN1.C1=NCCC1.C1=NCCO1.C1CCC1.C1CCC1.C1CCCC1.C1CCCCCC1.C1CCCCCC1.C1CCCOCC1.C1CCNC1.C1CCNCC1.C1CCNCC1.C1CCOC1.C1CCSC1.C1CO1.C1COCCN1.C1CSCCN1.O=C1CCCC1.O=C1CCCC1.O=C1CCCC1.O=C1CCCCN1.O=C1CCCN1.O=C1CCCNC1.O=C1CCCO1.O=C1CCCO1.O=S1(=O)CCCC1.O=S1(=O)CCNCC1.

What is the InChIKey of cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine?

The InChIKey is RZYMULCLXGLSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14.C6H12O.2C5H9NO.2C5H11N.C5H9N.3C5H8O.C5H10.C5H8.C4H9NO2S.C4H9NO.C4H7NO.C4H9NS.C4H5NS.C4H9N.C4H7N.C4H8O2S.2C4H6O2.C4H8O.C4H8S.2C4H8.C3H5NO.C2H4O/c3*1-2-4-6-7-5-3-1;7-5-2-1-3-6-4-5;7-5-3-1-2-4-6-5;3*1-2-4-6-5-3-1;3*6-5-3-1-2-4-5;2*1-2-4-5-3-1;6-8(7)3-1-5-2-4-8;1-3-6-4-2-5-1;6-4-2-1-3-5-4;2*1-3-6-4-2-5-1;2*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;1-2-5-3-4-1;1-2-3-1/h2*1-7H2;1-6H2;6H,1-4H2;1-4H2,(H,6,7);2*6H,1-5H2;2,4,6H,1,3,5H2;3*1-4H2;1-5H2;1-2H,3-5H2;5H,1-4H2;5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-5H;5H,1-4H2;3H,1-2,4H2;1-4H2;2*1-3H2;2*1-4H2;2*1-4H2;3H,1-2H2;1-2H2.

What are the key properties of cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine?

cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine has a molecular weight of 2468.82 g/mol, XLogP of 24.38, 0 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;bis(cycloheptane);cyclopentane;tris(cyclopentanone);cyclopentene;4,5-dihydro-1,3-oxazole;3,4-dihydro-2H-pyrrole;morpholine;oxepane;oxirane;oxolane;bis(oxolan-2-one);bis(piperidine);piperidin-2-one;piperidin-3-one;pyrrolidine;pyrrolidin-2-one;1,2,3,4-tetrahydropyridine;1,4-thiazinane 1,1-dioxide;4H-1,4-thiazine;thiolane;thiolane 1,1-dioxide;thiomorpholine is sourced from PubChem (CID 165066252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).