N-[(E)-benzylideneamino]cyclopentanecarboxamide

C13H16N2O — CID 139230611

IUPACN-[(E)-benzylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1ccccc1)C1CCCC1
InChIInChI=1S/C13H16N2O/c16-13(12-8-4-5-9-12)15-14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,15,16)/b14-10+
InChIKeyNYKMCEVYQMPDTP-GXDHUFHOSA-N
MW216.28 g/mol
LogP2.33
Rot. Bonds3

About N-[(E)-benzylideneamino]cyclopentanecarboxamide

N-[(E)-benzylideneamino]cyclopentanecarboxamide (PubChem CID 139230611) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]cyclopentanecarboxamide
PubChem CID139230611
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(E)-benzylideneamino]cyclopentanecarboxamide
SMILESO=C(N/N=C/c1ccccc1)C1CCCC1
InChIInChI=1S/C13H16N2O/c16-13(12-8-4-5-9-12)15-14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,15,16)/b14-10+
InChIKeyNYKMCEVYQMPDTP-GXDHUFHOSA-N
XLogP2.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.33
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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Related Compounds

N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-(pyridin-4-ylmethylideneamino)cyclobutanecarboxamide
CID 54518207
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
[4-[(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2-phenylacetate
CID 562526
methyl 4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]benzoate
CID 6020609
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-[(Z)-furan-3-ylmethylideneamino]cyclohexanecarboxamide
CID 6231530
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-benzylideneamino]cyclopentanecarboxamide (CID 139230611) is N-[(E)-benzylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]cyclopentanecarboxamide is O=C(N/N=C/c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(E)-benzylideneamino]cyclopentanecarboxamide?
The InChIKey is NYKMCEVYQMPDTP-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(12-8-4-5-9-12)15-14-10-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,15,16)/b14-10+.
What are the key properties of N-[(E)-benzylideneamino]cyclopentanecarboxamide?
N-[(E)-benzylideneamino]cyclopentanecarboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 139230611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).