11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one

C15H17NO2 — CID 59962442

IUPAC11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one
SMILESCC(=O)N1CC2CC23C1=CC(=O)C1=C3CCCC1
InChIInChI=1S/C15H17NO2/c1-9(17)16-8-10-7-15(10)12-5-3-2-4-11(12)13(18)6-14(15)16/h6,10H,2-5,7-8H2,1H3
InChIKeyTWFCPQCIUCWMLU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.19
Rot. Bonds

About 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one

11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one (PubChem CID 59962442) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one.

Molecular Properties

Compound Name11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one
PubChem CID59962442
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one
SMILESCC(=O)N1CC2CC23C1=CC(=O)C1=C3CCCC1
InChIInChI=1S/C15H17NO2/c1-9(17)16-8-10-7-15(10)12-5-3-2-4-11(12)13(18)6-14(15)16/h6,10H,2-5,7-8H2,1H3
InChIKeyTWFCPQCIUCWMLU-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[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one with MolForge

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Related Compounds

1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969405
Tert-butyl 8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-diene-11-carboxylate
CID 11012073
3,6,7-tri(propan-2-yl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 23592705
11-Acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
CID 59962453
6,7-ditert-butyl-3-propan-2-yl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 71241889
6-ethyl-3,7-dimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 117768751
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
6-Acetyl-3-methylidene-6-azatetracyclo[8.5.0.02,4.02,7]pentadec-7-en-9-one
CID 154987210
(1Z,2R,4S,13Z,15Z)-6-acetyl-6-azatetracyclo[8.7.0.02,4.02,7]heptadeca-1(17),7,10,13,15-pentaen-9-one
CID 163698338
6-ethyl-3-methyl-7-propyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 141907625
3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
CID 143030128

Frequently Asked Questions

What is the IUPAC name of 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one?
The IUPAC name of 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one (CID 59962442) is 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one.
What is the SMILES notation for 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one?
The canonical SMILES for 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one is CC(=O)N1CC2CC23C1=CC(=O)C1=C3CCCC1.
What is the InChIKey of 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one?
The InChIKey is TWFCPQCIUCWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(17)16-8-10-7-15(10)12-5-3-2-4-11(12)13(18)6-14(15)16/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one?
11-acetyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-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[8.4.0.01,13.02,7]tetradeca-2(7),9-dien-8-one is sourced from PubChem (CID 59962442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).