(2S)-1-methylpyrrolidine-2-carbohydrazide

C6H13N3O — CID 12522151

IUPAC(2S)-1-methylpyrrolidine-2-carbohydrazide
SMILESCN1CCC[C@H]1C(=O)NN
InChIInChI=1S/C6H13N3O/c1-9-4-2-3-5(9)6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyQHWWDKWUDJTJMG-YFKPBYRVSA-N
MW143.19 g/mol
LogP-0.93
Rot. Bonds1

About (2S)-1-methylpyrrolidine-2-carbohydrazide

(2S)-1-methylpyrrolidine-2-carbohydrazide (PubChem CID 12522151) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-1-methylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-methylpyrrolidine-2-carbohydrazide
PubChem CID12522151
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2S)-1-methylpyrrolidine-2-carbohydrazide
SMILESCN1CCC[C@H]1C(=O)NN
InChIInChI=1S/C6H13N3O/c1-9-4-2-3-5(9)6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyQHWWDKWUDJTJMG-YFKPBYRVSA-N
XLogP-0.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.93
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

(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
(2R)-N-acetyl-1-methylpyrrolidine-2-carboxamide
CID 90115350
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide
CID 10176748
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-1-methylpyrrolidine-2-carbohydrazide (CID 12522151) is (2S)-1-methylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-methylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-methylpyrrolidine-2-carbohydrazide is CN1CCC[C@H]1C(=O)NN.
What is the InChIKey of (2S)-1-methylpyrrolidine-2-carbohydrazide?
The InChIKey is QHWWDKWUDJTJMG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3O/c1-9-4-2-3-5(9)6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10)/t5-/m0/s1.
What are the key properties of (2S)-1-methylpyrrolidine-2-carbohydrazide?
(2S)-1-methylpyrrolidine-2-carbohydrazide has a molecular weight of 143.19 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 12522151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).