2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide

C14H17N3O3 — CID 9224240

IUPAC2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CN1CCCC1=O
InChIInChI=1S/C14H17N3O3/c1-10-5-2-3-6-11(10)14(20)16-15-12(18)9-17-8-4-7-13(17)19/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,20)
InChIKeyACWGKPKYLWTUPK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.38
Rot. Bonds3

About 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide

2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide (PubChem CID 9224240) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
PubChem CID9224240
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CN1CCCC1=O
InChIInChI=1S/C14H17N3O3/c1-10-5-2-3-6-11(10)14(20)16-15-12(18)9-17-8-4-7-13(17)19/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,20)
InChIKeyACWGKPKYLWTUPK-UHFFFAOYSA-N
XLogP0.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
CID 78866913
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
1-(2-methylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8654421
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083
2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593408
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide (CID 9224240) is 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)CN1CCCC1=O.
What is the InChIKey of 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide?
The InChIKey is ACWGKPKYLWTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-5-2-3-6-11(10)14(20)16-15-12(18)9-17-8-4-7-13(17)19/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,20).
What are the key properties of 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide?
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide has a molecular weight of 275.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 9224240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).