7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one

C14H17ClN2O — CID 117015968

IUPAC7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one
SMILESCC1(C)CNc2cc(Cl)ccc2N(C2CC2)C1=O
InChIInChI=1S/C14H17ClN2O/c1-14(2)8-16-11-7-9(15)3-6-12(11)17(13(14)18)10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3
InChIKeyVFWYFRGIQMEBSY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.29
Rot. Bonds1

About 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one

7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one (PubChem CID 117015968) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one
PubChem CID117015968
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one
SMILESCC1(C)CNc2cc(Cl)ccc2N(C2CC2)C1=O
InChIInChI=1S/C14H17ClN2O/c1-14(2)8-16-11-7-9(15)3-6-12(11)17(13(14)18)10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3
InChIKeyVFWYFRGIQMEBSY-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3,3-dimethyl-1-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzodiazepine
CID 117016007
7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole
CID 58547344
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64965252
1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
CID 1486799
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
(4S)-7-chloro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 15266163
9-chloro-3,3-dioxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
CID 80520374
6-amino-1-cyclopropyl-3,3-dimethylindol-2-one
CID 118415185
5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
CID 70538548

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one (CID 117015968) is 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one is CC1(C)CNc2cc(Cl)ccc2N(C2CC2)C1=O.
What is the InChIKey of 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is VFWYFRGIQMEBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2)8-16-11-7-9(15)3-6-12(11)17(13(14)18)10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3.
What are the key properties of 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one?
7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-3,3-dimethyl-4,5-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 117015968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).