N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide

C13H23NO2 — CID 103900007

IUPACN-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CC=CC1
InChIInChI=1S/C13H23NO2/c1-13(2,8-5-9-15)10-14-12(16)11-6-3-4-7-11/h3-4,11,15H,5-10H2,1-2H3,(H,14,16)
InChIKeyFIVCGHUULLUBKB-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.87
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide (PubChem CID 103900007) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide
PubChem CID103900007
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CC=CC1
InChIInChI=1S/C13H23NO2/c1-13(2,8-5-9-15)10-14-12(16)11-6-3-4-7-11/h3-4,11,15H,5-10H2,1-2H3,(H,14,16)
InChIKeyFIVCGHUULLUBKB-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide (CID 103900007) is N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide is CC(C)(CCCO)CNC(=O)C1CC=CC1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is FIVCGHUULLUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,8-5-9-15)10-14-12(16)11-6-3-4-7-11/h3-4,11,15H,5-10H2,1-2H3,(H,14,16).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 103900007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).