(2S)-5-oxopyrrolidine-2-carbohydrazide

C5H9N3O2 — CID 7297387

IUPAC(2S)-5-oxopyrrolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)/t3-/m0/s1
InChIKeyUVODKQNEOJXKPD-VKHMYHEASA-N
MW143.15 g/mol
LogP-1.75
Rot. Bonds1

About (2S)-5-oxopyrrolidine-2-carbohydrazide

(2S)-5-oxopyrrolidine-2-carbohydrazide (PubChem CID 7297387) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (2S)-5-oxopyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-5-oxopyrrolidine-2-carbohydrazide
PubChem CID7297387
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(2S)-5-oxopyrrolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)/t3-/m0/s1
InChIKeyUVODKQNEOJXKPD-VKHMYHEASA-N
XLogP-1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxopyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-5-oxopyrrolidine-2-carbohydrazide (CID 7297387) is (2S)-5-oxopyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-5-oxopyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-5-oxopyrrolidine-2-carbohydrazide is NNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-5-oxopyrrolidine-2-carbohydrazide?
The InChIKey is UVODKQNEOJXKPD-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)/t3-/m0/s1.
What are the key properties of (2S)-5-oxopyrrolidine-2-carbohydrazide?
(2S)-5-oxopyrrolidine-2-carbohydrazide has a molecular weight of 143.15 g/mol, XLogP of -1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxopyrrolidine-2-carbohydrazide is sourced from PubChem (CID 7297387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).