1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H10N2O3 — CID 62095222

IUPAC1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1
InChIInChI=1S/C12H10N2O3/c13-7-8-1-3-9(4-2-8)14-10(15)12(5-6-12)11(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
InChIKeyGGOYTQNOJMRTER-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.36
Rot. Bonds3

About 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095222) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095222
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1
InChIInChI=1S/C12H10N2O3/c13-7-8-1-3-9(4-2-8)14-10(15)12(5-6-12)11(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
InChIKeyGGOYTQNOJMRTER-UHFFFAOYSA-N
XLogP1.36
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312
1-N-(4-cyanophenyl)-1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983715
1-N'-(4-cyanophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970968
1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983820
1-N'-(4-cyanophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972843
1-N-(4-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983806
1-(4-cyanoanilino)cyclopropane-1-carboxylic acid
CID 65451444
1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979621
1-N'-(4-cyanophenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976395
1-N'-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975769
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095222) is 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid is N#Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GGOYTQNOJMRTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-7-8-1-3-9(4-2-8)14-10(15)12(5-6-12)11(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).