1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10N2O5 — CID 62095390

IUPAC1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C11H10N2O5/c14-9(11(4-5-11)10(15)16)12-7-2-1-3-8(6-7)13(17)18/h1-3,6H,4-5H2,(H,12,14)(H,15,16)
InChIKeyLWXRWUCHJBBEQI-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.40
Rot. Bonds4

About 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095390) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095390
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C11H10N2O5/c14-9(11(4-5-11)10(15)16)12-7-2-1-3-8(6-7)13(17)18/h1-3,6H,4-5H2,(H,12,14)(H,15,16)
InChIKeyLWXRWUCHJBBEQI-UHFFFAOYSA-N
XLogP1.40
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
1-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096808
1-cyano-3-methyl-N-(3-nitrophenyl)cyclobutane-1-carboxamide
CID 80501271
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
4-amino-1-(3-nitroanilino)cyclohexane-1-carboxylic acid
CID 67655150
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523

Frequently Asked Questions

What is the IUPAC name of 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095390) is 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LWXRWUCHJBBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-9(11(4-5-11)10(15)16)12-7-2-1-3-8(6-7)13(17)18/h1-3,6H,4-5H2,(H,12,14)(H,15,16).
What are the key properties of 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).