7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one

C18H17NO2 — CID 10085006

IUPAC7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one
SMILESCc1oc(=O)cc2c1c1c(n2Cc2ccccc2)CCC1
InChIInChI=1S/C18H17NO2/c1-12-18-14-8-5-9-15(14)19(16(18)10-17(20)21-12)11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyQSXHNEOTFGMCIL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds2

About 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one

7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one (PubChem CID 10085006) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one.

Molecular Properties

Compound Name7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one
PubChem CID10085006
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one
SMILESCc1oc(=O)cc2c1c1c(n2Cc2ccccc2)CCC1
InChIInChI=1S/C18H17NO2/c1-12-18-14-8-5-9-15(14)19(16(18)10-17(20)21-12)11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyQSXHNEOTFGMCIL-UHFFFAOYSA-N
XLogP3.44
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enoate
CID 11107610
(E)-3-[1-[(3-fluorophenyl)methyl]-5-methoxy-3a,7a-dihydroindol-2-yl]prop-2-enoic acid
CID 143968603
6-Benzyl-7-methyl-6H-pyrano[3,2-c]pyridine-2,5-dione
CID 10635528
4-[benzyl-[(E)-but-2-enyl]amino]-6-methyl-2-oxopyran-3-carbaldehyde
CID 10379878
ethyl 1-benzyl-2,4-dimethyl-4H-pyridine-3-carboxylate
CID 14386650
Tert-butyl 1-benzyl-2,4,4-trimethylpyridine-3-carboxylate
CID 101444969
methyl 1-benzyl-4-prop-2-enoxy-3,6-dihydro-2H-pyridine-5-carboxylate
CID 134840345
tert-butyl 1-benzyl-2,4-dimethyl-4H-pyridine-3-carboxylate
CID 134844469
tert-butyl (E)-3-(1-benzyl-6-methyl-4-oxo-2,3-dihydropyridin-5-yl)prop-2-enoate
CID 135026558
tert-butyl (E)-3-(1-benzyl-4-oxo-3-pyridinyl)prop-2-enoate
CID 135026560
ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate
CID 138980356
CID 154723137
CID 154723137

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one?
The IUPAC name of 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one (CID 10085006) is 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one.
What is the SMILES notation for 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one?
The canonical SMILES for 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one is Cc1oc(=O)cc2c1c1c(n2Cc2ccccc2)CCC1.
What is the InChIKey of 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one?
The InChIKey is QSXHNEOTFGMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-18-14-8-5-9-15(14)19(16(18)10-17(20)21-12)11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3.
What are the key properties of 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one?
7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one has a molecular weight of 279.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-12-methyl-11-oxa-7-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8-trien-10-one is sourced from PubChem (CID 10085006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).