2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate

C11H11N2O3- — CID 21083260

IUPAC2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate
SMILESO=C([O-])CN1C(=O)CCNc2ccccc21
InChIInChI=1S/C11H12N2O3/c14-10-5-6-12-8-3-1-2-4-9(8)13(10)7-11(15)16/h1-4,12H,5-7H2,(H,15,16)/p-1
InChIKeyXMCDEWPKRTYUFT-UHFFFAOYSA-M
MW219.22 g/mol
LogP-0.41
Rot. Bonds2

About 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate

2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate (PubChem CID 21083260) has the molecular formula C11H11N2O3- and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate.

Molecular Properties

Compound Name2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate
PubChem CID21083260
Molecular FormulaC11H11N2O3-
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate
SMILESO=C([O-])CN1C(=O)CCNc2ccccc21
InChIInChI=1S/C11H12N2O3/c14-10-5-6-12-8-3-1-2-4-9(8)13(10)7-11(15)16/h1-4,12H,5-7H2,(H,15,16)/p-1
InChIKeyXMCDEWPKRTYUFT-UHFFFAOYSA-M
XLogP-0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 10591516
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
6-benzyl-1,2,3,4-tetrahydro-1,6-benzodiazocin-5-one
CID 117015886
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 154069808
N-(2-chlorophenyl)-2-(2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 94763882
1-oxido-3,4-dihydroquinoxalin-2-one
CID 87723963
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
2-phenothiazin-10-ylacetate
CID 6988018
5-(3,3-dimethyl-2-oxobutyl)-2,3,6,7-tetrahydro-1H-1,5-benzodiazonin-4-one
CID 118738445
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate?
The IUPAC name of 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate (CID 21083260) is 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate.
What is the SMILES notation for 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate?
The canonical SMILES for 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate is O=C([O-])CN1C(=O)CCNc2ccccc21.
What is the InChIKey of 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate?
The InChIKey is XMCDEWPKRTYUFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O3/c14-10-5-6-12-8-3-1-2-4-9(8)13(10)7-11(15)16/h1-4,12H,5-7H2,(H,15,16)/p-1.
What are the key properties of 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate?
2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate has a molecular weight of 219.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl)acetate is sourced from PubChem (CID 21083260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).