2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride

C11H22ClN3O — CID 21276976

IUPAC2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CCCCC1N1CCCC1
InChIInChI=1S/C11H21N3O.ClH/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14;/h9-10H,1-8,12H2,(H,13,15);1H
InChIKeyJBDZJBZLGUADTC-UHFFFAOYSA-N
MW247.77 g/mol
LogP1.05
Rot. Bonds2

About 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride

2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride (PubChem CID 21276976) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
PubChem CID21276976
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)C1CCCCC1N1CCCC1
InChIInChI=1S/C11H21N3O.ClH/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14;/h9-10H,1-8,12H2,(H,13,15);1H
InChIKeyJBDZJBZLGUADTC-UHFFFAOYSA-N
XLogP1.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 51.05
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

(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474044
cis-(1S,2R)-cyclopentane-1,2-dicarbohydrazide
CID 130731478
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857971
cis-(1R,2S)-2-hydroxycyclopentane-1-carbohydrazide
CID 14687010
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 154478252

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride (CID 21276976) is 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride is Cl.NNC(=O)C1CCCCC1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride?
The InChIKey is JBDZJBZLGUADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c12-13-11(15)9-5-1-2-6-10(9)14-7-3-4-8-14;/h9-10H,1-8,12H2,(H,13,15);1H.
What are the key properties of 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride?
2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride is sourced from PubChem (CID 21276976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).