2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

C15H25NO2 — CID 62527351

IUPAC2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCC1CCC(CO)(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C15H25NO2/c1-12-6-8-15(11-17,9-7-12)16-14(18)10-13-4-2-3-5-13/h2,4,12-13,17H,3,5-11H2,1H3,(H,16,18)
InChIKeyFPIUASXYUYUXHP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.40
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide

2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (PubChem CID 62527351) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
PubChem CID62527351
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
SMILESCC1CCC(CO)(NC(=O)CC2C=CCC2)CC1
InChIInChI=1S/C15H25NO2/c1-12-6-8-15(11-17,9-7-12)16-14(18)10-13-4-2-3-5-13/h2,4,12-13,17H,3,5-11H2,1H3,(H,16,18)
InChIKeyFPIUASXYUYUXHP-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.40
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 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide (CID 62527351) is 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is CC1CCC(CO)(NC(=O)CC2C=CCC2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
The InChIKey is FPIUASXYUYUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-8-15(11-17,9-7-12)16-14(18)10-13-4-2-3-5-13/h2,4,12-13,17H,3,5-11H2,1H3,(H,16,18).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide?
2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide is sourced from PubChem (CID 62527351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).