11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one

C15H17NO2 — CID 59962453

IUPAC11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
SMILESCC(=O)N1CC2CC23C(=O)C2=C(C=C13)CCCC2
InChIInChI=1S/C15H17NO2/c1-9(17)16-8-11-7-15(11)13(16)6-10-4-2-3-5-12(10)14(15)18/h6,11H,2-5,7-8H2,1H3
InChIKeyOAEDJBRMHHZGDN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.19
Rot. Bonds

About 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one

11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one (PubChem CID 59962453) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one.

Molecular Properties

Compound Name11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
PubChem CID59962453
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
SMILESCC(=O)N1CC2CC23C(=O)C2=C(C=C13)CCCC2
InChIInChI=1S/C15H17NO2/c1-9(17)16-8-11-7-15(11)13(16)6-10-4-2-3-5-12(10)14(15)18/h6,11H,2-5,7-8H2,1H3
InChIKeyOAEDJBRMHHZGDN-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one with MolForge

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Related Compounds

(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 134957437
(1aS,3aS,7aS)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 134964718
(3aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969404
1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969405
(3aS)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969643
(2S,6S,12S)-2,12-dimethyl-10-prop-2-enoyl-4-azatetracyclo[9.3.1.04,13.06,12]pentadeca-9,11(15)-dien-5-one
CID 146161979
Tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate
CID 11012073
6-[3-(1-Acetylpiperidin-4-yl)propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-6,8(12)-dien-5-one
CID 17962348
3-acetyl-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
CID 59962429
11-Acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one
CID 59962442
ethane;3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 143030127
Tert-butyl 2-oxo-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-diene-11-carboxylate
CID 145817257

Frequently Asked Questions

What is the IUPAC name of 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one?
The IUPAC name of 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one (CID 59962453) is 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one.
What is the SMILES notation for 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one?
The canonical SMILES for 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one is CC(=O)N1CC2CC23C(=O)C2=C(C=C13)CCCC2.
What is the InChIKey of 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one?
The InChIKey is OAEDJBRMHHZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(17)16-8-11-7-15(11)13(16)6-10-4-2-3-5-12(10)14(15)18/h6,11H,2-5,7-8H2,1H3.
What are the key properties of 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one?
11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one is sourced from PubChem (CID 59962453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).