2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide

C12H15N3O3 — CID 168663727

IUPAC2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
SMILESNNC(=O)c1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C12H15N3O3/c13-14-12(18)9-3-1-2-4-10(9)15-6-8(7-16)5-11(15)17/h1-4,8,16H,5-7,13H2,(H,14,18)
InChIKeyOUAMAVLZHVYOGO-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.36
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide

2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide (PubChem CID 168663727) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
PubChem CID168663727
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide
SMILESNNC(=O)c1ccccc1N1CC(CO)CC1=O
InChIInChI=1S/C12H15N3O3/c13-14-12(18)9-3-1-2-4-10(9)15-6-8(7-16)5-11(15)17/h1-4,8,16H,5-7,13H2,(H,14,18)
InChIKeyOUAMAVLZHVYOGO-UHFFFAOYSA-N
XLogP-0.36
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168662246
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168503974
N-methyl-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzamide
CID 168669971
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
CID 168659058
1-(3-acetyl-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662057
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
5-bromo-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168663637
ethyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetate
CID 168662122
4-(hydroxymethyl)-1-(2-methylsulfonylphenyl)pyrrolidin-2-one
CID 168662518
2-(4-amino-2-oxopyrrolidin-1-yl)-N-tert-butylbenzamide
CID 168699033
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide (CID 168663727) is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide is NNC(=O)c1ccccc1N1CC(CO)CC1=O.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide?
The InChIKey is OUAMAVLZHVYOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-14-12(18)9-3-1-2-4-10(9)15-6-8(7-16)5-11(15)17/h1-4,8,16H,5-7,13H2,(H,14,18).
What are the key properties of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide?
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide has a molecular weight of 249.27 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzohydrazide is sourced from PubChem (CID 168663727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).