5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one

C17H22N2O2 — CID 118740681

IUPAC5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESCN1C(=O)CCN(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-18-14-9-5-6-10-15(14)19(12-11-16(18)20)17(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyJBWOFCBVEUEVRG-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds1

About 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one

5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one (PubChem CID 118740681) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
PubChem CID118740681
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESCN1C(=O)CCN(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O2/c1-18-14-9-5-6-10-15(14)19(12-11-16(18)20)17(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3
InChIKeyJBWOFCBVEUEVRG-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 134786724
cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 110876555
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
1-methyl-5-(1,2,5-thiadiazole-3-carbonyl)-3,4-dihydro-1,5-benzodiazepin-2-one
CID 75512162
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-cycloheptylmethanone
CID 114335609
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
CID 114337075
1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110612523
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
cyclobutyl-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)methanone
CID 110876567
5-(cyclopropanecarbonyl)-7-methoxy-1-methyl-3,4,6,7-tetrahydro-1,5-benzodiazonin-2-one
CID 118738696
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one (CID 118740681) is 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one is CN1C(=O)CCN(C(=O)C2CCCCC2)c2ccccc21.
What is the InChIKey of 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is JBWOFCBVEUEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-14-9-5-6-10-15(14)19(12-11-16(18)20)17(21)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3.
What are the key properties of 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 118740681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).