1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

C11H12ClN3O2 — CID 4002741

IUPAC1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClN3O2/c12-8-1-3-9(4-2-8)15-6-7(5-10(15)16)11(17)14-13/h1-4,7H,5-6,13H2,(H,14,17)
InChIKeyCVBUBNCMYUNOGC-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.68
Rot. Bonds2

About 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide

1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 4002741) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID4002741
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClN3O2/c12-8-1-3-9(4-2-8)15-6-7(5-10(15)16)11(17)14-13/h1-4,7H,5-6,13H2,(H,14,17)
InChIKeyCVBUBNCMYUNOGC-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 4002741) is 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is NNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is CVBUBNCMYUNOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-8-1-3-9(4-2-8)15-6-7(5-10(15)16)11(17)14-13/h1-4,7H,5-6,13H2,(H,14,17).
What are the key properties of 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 253.69 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 4002741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).