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

C10H10N2O — CID 174760058

IUPAC6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCc1cccc2c1=NC(=O)CCN=2
InChIInChI=1S/C10H10N2O/c1-7-3-2-4-8-10(7)12-9(13)5-6-11-8/h2-4H,5-6H2,1H3
InChIKeyKJTMIOJHOSEKGN-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.16
Rot. Bonds

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

6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 174760058) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID174760058
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCc1cccc2c1=NC(=O)CCN=2
InChIInChI=1S/C10H10N2O/c1-7-3-2-4-8-10(7)12-9(13)5-6-11-8/h2-4H,5-6H2,1H3
InChIKeyKJTMIOJHOSEKGN-UHFFFAOYSA-N
XLogP0.16
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 174760058) is 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is Cc1cccc2c1=NC(=O)CCN=2.
What is the InChIKey of 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is KJTMIOJHOSEKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-2-4-8-10(7)12-9(13)5-6-11-8/h2-4H,5-6H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one?
6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 174.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 174760058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).