1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide

C12H11N3O3 — CID 107857068

IUPAC1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C#N)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-8-2-3-9(10(6-8)15(17)18)14-11(16)12(7-13)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyUZXUYNOPHYQVSY-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.15
Rot. Bonds3

About 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide

1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 107857068) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID107857068
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C#N)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-8-2-3-9(10(6-8)15(17)18)14-11(16)12(7-13)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyUZXUYNOPHYQVSY-UHFFFAOYSA-N
XLogP2.15
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.15
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

1-cyano-3-methyl-N-(4-methyl-2-nitrophenyl)cyclobutane-1-carboxamide
CID 107857076
1-cyano-N-(2,5-dimethyl-4-nitrophenyl)cyclopropane-1-carboxamide
CID 103145506
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
4-amino-N-(4-methyl-2-nitrophenyl)oxane-4-carboxamide
CID 115293950
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
CID 103604334
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-(4-methyl-2-nitrophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435556
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
2-cyano-2-ethyl-N-(4-methyl-2-nitrophenyl)butanamide
CID 107857071
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993
1-cyano-N-(4-methyl-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584340

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide (CID 107857068) is 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(C#N)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is UZXUYNOPHYQVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-2-3-9(10(6-8)15(17)18)14-11(16)12(7-13)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide?
1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107857068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).