N-benzylcyclopentanecarbohydrazide

C13H18N2O — CID 141018237

IUPACN-benzylcyclopentanecarbohydrazide
SMILESNN(Cc1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C13H18N2O/c14-15(10-11-6-2-1-3-7-11)13(16)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10,14H2
InChIKeyXMMIPTBHXXGAEB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.08
Rot. Bonds3

About N-benzylcyclopentanecarbohydrazide

N-benzylcyclopentanecarbohydrazide (PubChem CID 141018237) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-benzylcyclopentanecarbohydrazide.

Molecular Properties

Compound NameN-benzylcyclopentanecarbohydrazide
PubChem CID141018237
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-benzylcyclopentanecarbohydrazide
SMILESNN(Cc1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C13H18N2O/c14-15(10-11-6-2-1-3-7-11)13(16)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10,14H2
InChIKeyXMMIPTBHXXGAEB-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
CID 141090307
amino(benzyl)carbamic acid
CID 18704089
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-phenylcyclopentanecarbohydrazide
CID 135123224
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
amino(benzyl)carbamoperoxoic acid
CID 139935569
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157

Frequently Asked Questions

What is the IUPAC name of N-benzylcyclopentanecarbohydrazide?
The IUPAC name of N-benzylcyclopentanecarbohydrazide (CID 141018237) is N-benzylcyclopentanecarbohydrazide.
What is the SMILES notation for N-benzylcyclopentanecarbohydrazide?
The canonical SMILES for N-benzylcyclopentanecarbohydrazide is NN(Cc1ccccc1)C(=O)C1CCCC1.
What is the InChIKey of N-benzylcyclopentanecarbohydrazide?
The InChIKey is XMMIPTBHXXGAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-15(10-11-6-2-1-3-7-11)13(16)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10,14H2.
What are the key properties of N-benzylcyclopentanecarbohydrazide?
N-benzylcyclopentanecarbohydrazide has a molecular weight of 218.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclopentanecarbohydrazide is sourced from PubChem (CID 141018237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).