N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide

C13H16N2O3 — CID 898570

IUPACN-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16N2O3/c1-9-6-7-11(15(17)18)8-12(9)14-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyJKPHXNBCWLDKOP-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.03
Rot. Bonds3

About N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide

N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide (PubChem CID 898570) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide
PubChem CID898570
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16N2O3/c1-9-6-7-11(15(17)18)8-12(9)14-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyJKPHXNBCWLDKOP-UHFFFAOYSA-N
XLogP3.03
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide (CID 898570) is N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCC1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide?
The InChIKey is JKPHXNBCWLDKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-6-7-11(15(17)18)8-12(9)14-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16).
What are the key properties of N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide?
N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide has a molecular weight of 248.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).