2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide

C16H22N6O4 — CID 143596613

IUPAC2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1CCN(c2ccccc2)C1=O.NNC(=O)C1CCNC1=O
InChIInChI=1S/C11H13N3O2.C5H9N3O2/c12-13-10(15)9-6-7-14(11(9)16)8-4-2-1-3-5-8;6-8-5(10)3-1-2-7-4(3)9/h1-5,9H,6-7,12H2,(H,13,15);3H,1-2,6H2,(H,7,9)(H,8,10)
InChIKeyREMKUOZFYZYTER-UHFFFAOYSA-N
MW362.39 g/mol
LogP-1.86
Rot. Bonds3

About 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide

2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide (PubChem CID 143596613) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide
PubChem CID143596613
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide
SMILESNNC(=O)C1CCN(c2ccccc2)C1=O.NNC(=O)C1CCNC1=O
InChIInChI=1S/C11H13N3O2.C5H9N3O2/c12-13-10(15)9-6-7-14(11(9)16)8-4-2-1-3-5-8;6-8-5(10)3-1-2-7-4(3)9/h1-5,9H,6-7,12H2,(H,13,15);3H,1-2,6H2,(H,7,9)(H,8,10)
InChIKeyREMKUOZFYZYTER-UHFFFAOYSA-N
XLogP-1.86
TPSA159.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
2-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 140978108
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 25288656
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 92711359
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(2S)-2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366393

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide (CID 143596613) is 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide is NNC(=O)C1CCN(c2ccccc2)C1=O.NNC(=O)C1CCNC1=O.
What is the InChIKey of 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide?
The InChIKey is REMKUOZFYZYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C5H9N3O2/c12-13-10(15)9-6-7-14(11(9)16)8-4-2-1-3-5-8;6-8-5(10)3-1-2-7-4(3)9/h1-5,9H,6-7,12H2,(H,13,15);3H,1-2,6H2,(H,7,9)(H,8,10).
What are the key properties of 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide?
2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide has a molecular weight of 362.39 g/mol, XLogP of -1.86, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 143596613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).