N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide

C12H14N2O4 — CID 103602349

IUPACN-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCC1
InChIInChI=1S/C12H14N2O4/c15-11-6-5-9(14(17)18)7-10(11)13-12(16)8-3-1-2-4-8/h5-8,15H,1-4H2,(H,13,16)
InChIKeyTVTNUNKSVALCME-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.43
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide

N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide (PubChem CID 103602349) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
PubChem CID103602349
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCC1
InChIInChI=1S/C12H14N2O4/c15-11-6-5-9(14(17)18)7-10(11)13-12(16)8-3-1-2-4-8/h5-8,15H,1-4H2,(H,13,16)
InChIKeyTVTNUNKSVALCME-UHFFFAOYSA-N
XLogP2.43
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide (CID 103602349) is N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCC1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide?
The InChIKey is TVTNUNKSVALCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11-6-5-9(14(17)18)7-10(11)13-12(16)8-3-1-2-4-8/h5-8,15H,1-4H2,(H,13,16).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide?
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide has a molecular weight of 250.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 103602349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).