10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one

C18H18N2O2 — CID 59995779

IUPAC10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one
SMILESO=C(c1ccccc1)c1ccc(=O)n2c1NCC1CCC1C2
InChIInChI=1S/C18H18N2O2/c21-16-9-8-15(17(22)12-4-2-1-3-5-12)18-19-10-13-6-7-14(13)11-20(16)18/h1-5,8-9,13-14,19H,6-7,10-11H2
InChIKeyLIKYEGQMFZEAHU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds2

About 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one

10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one (PubChem CID 59995779) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one.

Molecular Properties

Compound Name10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one
PubChem CID59995779
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one
SMILESO=C(c1ccccc1)c1ccc(=O)n2c1NCC1CCC1C2
InChIInChI=1S/C18H18N2O2/c21-16-9-8-15(17(22)12-4-2-1-3-5-12)18-19-10-13-6-7-14(13)11-20(16)18/h1-5,8-9,13-14,19H,6-7,10-11H2
InChIKeyLIKYEGQMFZEAHU-UHFFFAOYSA-N
XLogP2.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzoyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
CID 142256933
(5aR,9aS)-4-benzoyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[1,2-a]benzimidazol-1-one
CID 59995813
10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one
CID 59995836
5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid
CID 53337821
(6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidin-8-yl)-phenylmethanone
CID 102242065
6-amino-5-benzoyl-1-phenylpyridin-2-one
CID 11644976
4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one
CID 22258271
phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 135671358
(5aS,9aS)-4-(4-chlorobenzoyl)-5a,6,7,8,9,9a-hexahydro-5H-pyrido[1,2-a]benzimidazol-1-one
CID 59995806
[2-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]-phenylmethanone
CID 120999319
diphenylmethanone
CID 3102
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718

Frequently Asked Questions

What is the IUPAC name of 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one?
The IUPAC name of 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one (CID 59995779) is 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one.
What is the SMILES notation for 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one?
The canonical SMILES for 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one is O=C(c1ccccc1)c1ccc(=O)n2c1NCC1CCC1C2.
What is the InChIKey of 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one?
The InChIKey is LIKYEGQMFZEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-16-9-8-15(17(22)12-4-2-1-3-5-12)18-19-10-13-6-7-14(13)11-20(16)18/h1-5,8-9,13-14,19H,6-7,10-11H2.
What are the key properties of 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one?
10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one has a molecular weight of 294.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzoyl-1,8-diazatricyclo[7.4.0.03,6]trideca-9,11-dien-13-one is sourced from PubChem (CID 59995779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).