5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C13H16N2O — CID 115554226

IUPAC5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1cccc2c1N(C1CC1)CCC(=O)N2
InChIInChI=1S/C13H16N2O/c1-9-3-2-4-11-13(9)15(10-5-6-10)8-7-12(16)14-11/h2-4,10H,5-8H2,1H3,(H,14,16)
InChIKeyZDSGZVCYJZGPCH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds1

About 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 115554226) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID115554226
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCc1cccc2c1N(C1CC1)CCC(=O)N2
InChIInChI=1S/C13H16N2O/c1-9-3-2-4-11-13(9)15(10-5-6-10)8-7-12(16)14-11/h2-4,10H,5-8H2,1H3,(H,14,16)
InChIKeyZDSGZVCYJZGPCH-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 115554226) is 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is Cc1cccc2c1N(C1CC1)CCC(=O)N2.
What is the InChIKey of 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is ZDSGZVCYJZGPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-2-4-11-13(9)15(10-5-6-10)8-7-12(16)14-11/h2-4,10H,5-8H2,1H3,(H,14,16).
What are the key properties of 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 115554226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).