(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide

C11H13N3O2 — CID 822739

IUPAC(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
SMILESNNC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1
InChIInChI=1S/C11H13N3O2/c12-14-11(16)9-8(6-13-10(9)15)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,15)(H,14,16)/t8-,9-/m1/s1
InChIKeyMWJRJUUIBZWZBQ-RKDXNWHRSA-N
MW219.24 g/mol
LogP-0.49
Rot. Bonds2

About (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide

(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide (PubChem CID 822739) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
PubChem CID822739
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
SMILESNNC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1
InChIInChI=1S/C11H13N3O2/c12-14-11(16)9-8(6-13-10(9)15)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,15)(H,14,16)/t8-,9-/m1/s1
InChIKeyMWJRJUUIBZWZBQ-RKDXNWHRSA-N
XLogP-0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide
CID 822738
N-cyclopentyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810389
ethyl (3S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 118038022
(3R)-4-phenyl-3-prop-2-enoylpyrrolidin-2-one
CID 141255561
N-octyl-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 86810390
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
(3S,4R)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 5406050
(3R,4S)-2-oxo-4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 39858118
(3R,4S)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7393389
4-(3,4-difluorophenyl)-2-oxo-N-phenoxypyrrolidine-3-carboxamide
CID 135352308

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide?
The IUPAC name of (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide (CID 822739) is (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide is NNC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide?
The InChIKey is MWJRJUUIBZWZBQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-14-11(16)9-8(6-13-10(9)15)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,15)(H,14,16)/t8-,9-/m1/s1.
What are the key properties of (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide?
(3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide has a molecular weight of 219.24 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 822739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).