cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone

C14H18N2O — CID 110876555

IUPACcyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
SMILESCN1CCCN(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-15-9-4-10-16(14(17)11-7-8-11)13-6-3-2-5-12(13)15/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyJGOVHELKJCMVKH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.27
Rot. Bonds1

About cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone

cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone (PubChem CID 110876555) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
PubChem CID110876555
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Namecyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
SMILESCN1CCCN(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-15-9-4-10-16(14(17)11-7-8-11)13-6-3-2-5-12(13)15/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyJGOVHELKJCMVKH-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119889173
cyclobutyl-(5-methylsulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)methanone
CID 110876567
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
tert-butyl 1-(1-methyl-2-oxopiperidine-4-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxylate
CID 166179054
cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
CID 91924237
cyclopropyl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64851401
5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 118740681
1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-phenoxyethanone
CID 136526912
(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid
CID 102945276
cyclopropyl-[5-(3-fluoro-4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
CID 91911973
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
2-(4-aminophenyl)-1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)ethanone;dihydrochloride
CID 119889126

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone?
The IUPAC name of cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone (CID 110876555) is cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone?
The canonical SMILES for cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone is CN1CCCN(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone?
The InChIKey is JGOVHELKJCMVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-9-4-10-16(14(17)11-7-8-11)13-6-3-2-5-12(13)15/h2-3,5-6,11H,4,7-10H2,1H3.
What are the key properties of cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone?
cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone is sourced from PubChem (CID 110876555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).