ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate

C11H14N2O3 — CID 156721823

IUPACethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CC1CCC2O1
InChIInChI=1S/C11H14N2O3/c1-2-15-11(14)10-7-5-6-3-4-8(16-6)9(7)12-13-10/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyGNSAGOJNYDNIOF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.36
Rot. Bonds2

About ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate

ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate (PubChem CID 156721823) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate.

Molecular Properties

Compound Nameethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate
PubChem CID156721823
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1CC1CCC2O1
InChIInChI=1S/C11H14N2O3/c1-2-15-11(14)10-7-5-6-3-4-8(16-6)9(7)12-13-10/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyGNSAGOJNYDNIOF-UHFFFAOYSA-N
XLogP1.36
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate with MolForge

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Related Compounds

ethyl (6S)-6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
CID 26599216
(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide;ethyl (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylate
CID 158488978
ethane;ethyl 5-cyclopropyl-4-methyl-1H-pyrazole-3-carboxylate
CID 166528664
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 23005640
ethyl (6R)-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 163409902
ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate
CID 172908157
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
ethyl 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 155731721
ethyl (4R,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 6950091
ethyl (4S,7S)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 852806
ethane;ethyl 6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 155731720
ethyl (4aS,5aR)-5-fluoro-5,5a-dimethyl-1,4,4a,6-tetrahydrocyclopropa[f]indazole-3-carboxylate
CID 156530006

Frequently Asked Questions

What is the IUPAC name of ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate?
The IUPAC name of ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate (CID 156721823) is ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate.
What is the SMILES notation for ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate?
The canonical SMILES for ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate is CCOC(=O)c1n[nH]c2c1CC1CCC2O1.
What is the InChIKey of ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate?
The InChIKey is GNSAGOJNYDNIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-15-11(14)10-7-5-6-3-4-8(16-6)9(7)12-13-10/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate?
ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylate is sourced from PubChem (CID 156721823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).