N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide

C13H15ClN2O — CID 25237221

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H15ClN2O/c14-12-7-3-4-10(8-12)9-15-16-13(17)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,17)/b15-9+
InChIKeyCPSPVHIAPFLPCU-OQLLNIDSSA-N
MW250.73 g/mol
LogP2.98
Rot. Bonds3

About N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237221) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237221
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H15ClN2O/c14-12-7-3-4-10(8-12)9-15-16-13(17)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,17)/b15-9+
InChIKeyCPSPVHIAPFLPCU-OQLLNIDSSA-N
XLogP2.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide (CID 25237221) is N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide is O=C(N/N=C/c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is CPSPVHIAPFLPCU-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-7-3-4-10(8-12)9-15-16-13(17)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 250.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).