N-(4-nitrophenyl)cyclopropanecarboxamide

C10H10N2O3 — CID 2921832

IUPACN-(4-nitrophenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)
InChIKeyPXCMXAOVWGQBSS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.94
Rot. Bonds3

About N-(4-nitrophenyl)cyclopropanecarboxamide

N-(4-nitrophenyl)cyclopropanecarboxamide (PubChem CID 2921832) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(4-nitrophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)cyclopropanecarboxamide
PubChem CID2921832
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-(4-nitrophenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)
InChIKeyPXCMXAOVWGQBSS-UHFFFAOYSA-N
XLogP1.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.94
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-(4-nitrophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-nitrophenyl)cyclopropanecarboxamide (CID 2921832) is N-(4-nitrophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-nitrophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-nitrophenyl)cyclopropanecarboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of N-(4-nitrophenyl)cyclopropanecarboxamide?
The InChIKey is PXCMXAOVWGQBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13).
What are the key properties of N-(4-nitrophenyl)cyclopropanecarboxamide?
N-(4-nitrophenyl)cyclopropanecarboxamide has a molecular weight of 206.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 2921832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).