1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide

C11H13N3O3 — CID 81179172

IUPAC1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1
InChIInChI=1S/C11H13N3O3/c12-11(6-1-7-11)10(15)13-8-2-4-9(5-3-8)14(16)17/h2-5H,1,6-7,12H2,(H,13,15)
InChIKeyIBWXBJHYBYFACN-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.41
Rot. Bonds3

About 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide

1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide (PubChem CID 81179172) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
PubChem CID81179172
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1
InChIInChI=1S/C11H13N3O3/c12-11(6-1-7-11)10(15)13-8-2-4-9(5-3-8)14(16)17/h2-5H,1,6-7,12H2,(H,13,15)
InChIKeyIBWXBJHYBYFACN-UHFFFAOYSA-N
XLogP1.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
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-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
1-amino-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119305426

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide (CID 81179172) is 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1.
What is the InChIKey of 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide?
The InChIKey is IBWXBJHYBYFACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-11(6-1-7-11)10(15)13-8-2-4-9(5-3-8)14(16)17/h2-5H,1,6-7,12H2,(H,13,15).
What are the key properties of 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide?
1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-nitrophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).