4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one

C20H19NO2 — CID 157020459

IUPAC4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C20H19NO2/c22-19-9-8-16-17(19)6-3-7-18(16)20(23)21-12-10-14-4-1-2-5-15(14)11-13-21/h1-7H,8-13H2
InChIKeyNYNVXCVVNHRKLI-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.06
Rot. Bonds1

About 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one

4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one (PubChem CID 157020459) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
PubChem CID157020459
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C20H19NO2/c22-19-9-8-16-17(19)6-3-7-18(16)20(23)21-12-10-14-4-1-2-5-15(14)11-13-21/h1-7H,8-13H2
InChIKeyNYNVXCVVNHRKLI-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(pyridine-3-carbonyl)-1,4-diazepane-1-carbonyl]-2,3-dihydroinden-1-one
CID 135105818
4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131941564
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 106544565
1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one
CID 131936356
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
4-[4-(furan-3-ylmethyl)-1,4-diazepane-1-carbonyl]-2,3-dihydroinden-1-one
CID 134706209
1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164695522
(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146046163
4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 166617141
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2,3-dihydroinden-1-one
CID 169417300
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one (CID 157020459) is 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one is O=C1CCc2c1cccc2C(=O)N1CCc2ccccc2CC1.
What is the InChIKey of 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one?
The InChIKey is NYNVXCVVNHRKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-9-8-16-17(19)6-3-7-18(16)20(23)21-12-10-14-4-1-2-5-15(14)11-13-21/h1-7H,8-13H2.
What are the key properties of 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one?
4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one has a molecular weight of 305.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 157020459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).