4-pyrrolidin-1-ylbenzohydrazide;hydrochloride

C11H16ClN3O — CID 163230065

IUPAC4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15N3O.ClH/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14;/h3-6H,1-2,7-8,12H2,(H,13,15);1H
InChIKeyYZGMLDBTJBGRMC-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.31
Rot. Bonds2

About 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride

4-pyrrolidin-1-ylbenzohydrazide;hydrochloride (PubChem CID 163230065) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
PubChem CID163230065
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15N3O.ClH/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14;/h3-6H,1-2,7-8,12H2,(H,13,15);1H
InChIKeyYZGMLDBTJBGRMC-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.31
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

4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785
amino 4-pyrrolidin-1-ylbenzoate
CID 23055620
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 91788939

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride?
The IUPAC name of 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride (CID 163230065) is 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride?
The canonical SMILES for 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride is Cl.NNC(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride?
The InChIKey is YZGMLDBTJBGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c12-13-11(15)9-3-5-10(6-4-9)14-7-1-2-8-14;/h3-6H,1-2,7-8,12H2,(H,13,15);1H.
What are the key properties of 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride?
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbenzohydrazide;hydrochloride is sourced from PubChem (CID 163230065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).