N'-benzylpyrrolidine-2-carbohydrazide

C12H17N3O — CID 130007921

IUPACN'-benzylpyrrolidine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1)C1CCCN1
InChIInChI=1S/C12H17N3O/c16-12(11-7-4-8-13-11)15-14-9-10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2,(H,15,16)
InChIKeyIEPALTQLRGRHRL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.56
Rot. Bonds4

About N'-benzylpyrrolidine-2-carbohydrazide

N'-benzylpyrrolidine-2-carbohydrazide (PubChem CID 130007921) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-benzylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzylpyrrolidine-2-carbohydrazide
PubChem CID130007921
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-benzylpyrrolidine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1)C1CCCN1
InChIInChI=1S/C12H17N3O/c16-12(11-7-4-8-13-11)15-14-9-10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2,(H,15,16)
InChIKeyIEPALTQLRGRHRL-UHFFFAOYSA-N
XLogP0.56
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2R)-N'-phenylpiperidine-2-carbohydrazide
CID 124707340
2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 5074302
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683

Frequently Asked Questions

What is the IUPAC name of N'-benzylpyrrolidine-2-carbohydrazide?
The IUPAC name of N'-benzylpyrrolidine-2-carbohydrazide (CID 130007921) is N'-benzylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-benzylpyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-benzylpyrrolidine-2-carbohydrazide is O=C(NNCc1ccccc1)C1CCCN1.
What is the InChIKey of N'-benzylpyrrolidine-2-carbohydrazide?
The InChIKey is IEPALTQLRGRHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(11-7-4-8-13-11)15-14-9-10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7-9H2,(H,15,16).
What are the key properties of N'-benzylpyrrolidine-2-carbohydrazide?
N'-benzylpyrrolidine-2-carbohydrazide has a molecular weight of 219.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 130007921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).