N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide

C13H15NO2 — CID 115696804

IUPACN-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC=CC2)c1O
InChIInChI=1S/C13H15NO2/c1-9-5-4-8-11(12(9)15)13(16)14-10-6-2-3-7-10/h2-5,8,10,15H,6-7H2,1H3,(H,14,16)
InChIKeyJATHGXRWBQHLOO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.15
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide

N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide (PubChem CID 115696804) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
PubChem CID115696804
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC=CC2)c1O
InChIInChI=1S/C13H15NO2/c1-9-5-4-8-11(12(9)15)13(16)14-10-6-2-3-7-10/h2-5,8,10,15H,6-7H2,1H3,(H,14,16)
InChIKeyJATHGXRWBQHLOO-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
CID 43594388
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
CID 103890634
N-(2-bromocyclohexyl)-2-hydroxy-3-methylbenzamide
CID 114312067
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
N-cyclopent-3-en-1-yl-2-sulfanylbenzamide
CID 107035267
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide (CID 115696804) is N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC2CC=CC2)c1O.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide?
The InChIKey is JATHGXRWBQHLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-5-4-8-11(12(9)15)13(16)14-10-6-2-3-7-10/h2-5,8,10,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide?
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide has a molecular weight of 217.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 115696804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).