1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide

C13H13N3O3 — CID 103604334

IUPAC1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H13N3O3/c14-9-13(7-3-4-8-13)12(17)15-10-5-1-2-6-11(10)16(18)19/h1-2,5-6H,3-4,7-8H2,(H,15,17)
InChIKeyPAAMUYUCTIFTBB-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.62
Rot. Bonds3

About 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide

1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 103604334) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID103604334
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H13N3O3/c14-9-13(7-3-4-8-13)12(17)15-10-5-1-2-6-11(10)16(18)19/h1-2,5-6H,3-4,7-8H2,(H,15,17)
InChIKeyPAAMUYUCTIFTBB-UHFFFAOYSA-N
XLogP2.62
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
CID 107857068
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
N-(2-chloro-5-nitrophenyl)-1-cyanocyclobutane-1-carboxamide
CID 78994923
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-cyano-N-(4-fluoro-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584373
1-cyano-N-(4-methyl-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584340
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
2-[1-(methylamino)cyclohexyl]-N-(2-nitrophenyl)acetamide
CID 65242627
1-cyano-N-(2,5-dimethyl-4-nitrophenyl)cyclopropane-1-carboxamide
CID 103145506
N-(5-chloro-2-nitrophenyl)-4-cyanooxane-4-carboxamide
CID 107857357

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide (CID 103604334) is 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is PAAMUYUCTIFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-9-13(7-3-4-8-13)12(17)15-10-5-1-2-6-11(10)16(18)19/h1-2,5-6H,3-4,7-8H2,(H,15,17).
What are the key properties of 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide?
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103604334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).