1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide

C10H11N3O4 — CID 107744191

IUPAC1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC1
InChIInChI=1S/C10H11N3O4/c11-10(3-4-10)9(15)12-7-2-1-6(13(16)17)5-8(7)14/h1-2,5,14H,3-4,11H2,(H,12,15)
InChIKeyRVNCONQQPVFTHD-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.73
Rot. Bonds3

About 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide

1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 107744191) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID107744191
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC1
InChIInChI=1S/C10H11N3O4/c11-10(3-4-10)9(15)12-7-2-1-6(13(16)17)5-8(7)14/h1-2,5,14H,3-4,11H2,(H,12,15)
InChIKeyRVNCONQQPVFTHD-UHFFFAOYSA-N
XLogP0.73
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
4-(aminomethyl)-N-(2-hydroxy-4-nitrophenyl)oxane-4-carboxamide
CID 107744257
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
CID 81179172
N-(2-hydroxy-4-nitrophenyl)-2-(4-hydroxyphenyl)acetamide
CID 107745071
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7640466
(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
CID 107743856
N-(2-hydroxy-4-nitrophenyl)but-2-ynamide
CID 107989033
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide (CID 107744191) is 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide is NC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC1.
What is the InChIKey of 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is RVNCONQQPVFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-10(3-4-10)9(15)12-7-2-1-6(13(16)17)5-8(7)14/h1-2,5,14H,3-4,11H2,(H,12,15).
What are the key properties of 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide?
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 237.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107744191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).