5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C11H12N2O2 — CID 738777

IUPAC5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC(=O)N1CCC(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-8(14)13-7-6-11(15)12-9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyVHRPJWPAYNHCQU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.38
Rot. Bonds

About 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 738777) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID738777
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC(=O)N1CCC(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-8(14)13-7-6-11(15)12-9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyVHRPJWPAYNHCQU-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 738777) is 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CC(=O)N1CCC(=O)Nc2ccccc21.
What is the InChIKey of 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is VHRPJWPAYNHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14)13-7-6-11(15)12-9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,12,15).
What are the key properties of 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 738777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).