2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide

C13H23NO2 — CID 103861862

IUPAC2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-11(10-15)5-4-8-14-13(16)9-12-6-2-3-7-12/h2,6,11-12,15H,3-5,7-10H2,1H3,(H,14,16)
InChIKeyRMEVHYKIZQBLEX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.87
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide

2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103861862) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103861862
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-11(10-15)5-4-8-14-13(16)9-12-6-2-3-7-12/h2,6,11-12,15H,3-5,7-10H2,1H3,(H,14,16)
InChIKeyRMEVHYKIZQBLEX-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-pentyl)arachidonoylamide
CID 5283405
N-((1-(hydroxymethyl)cyclopropyl)methyl)cyclohex-3-enecarboxamide
CID 71796850
N-[4-(hydroxymethyl)cyclohexyl]cyclopent-3-ene-1-carboxamide
CID 75502844
2-[(1R)-cyclopent-2-en-1-yl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 95223948
N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide
CID 95978074
(R,Z)-2-ethyl-N-((4R,5R,E)-4-ethyl-5-hydroxy-8-methyldec-8-en-1-yl)hept-5-enamide
CID 163319736
N-ethyl-2-[(1r,4s,5s)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 171365711
N-ethyl-2-[(1s,2s,5s)-2-(hydroxymethyl)-5-(trimethylsilyl)cyclopent-3-en-1-yl]acetamide
CID 171365750
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858138
2-cyclopent-2-en-1-yl-N-{[1-(hydroxymethyl)cyclopentyl]methyl}acetamide
CID 56756730
N-[3-(dimethylamino)propyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide
CID 21266159
(E)-N-[3-(2-hydroxyethyl)-3-methyl-5-[[(E)-octadec-8-enoyl]amino]pentyl]octadec-8-enamide
CID 21348366

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103861862) is 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is RMEVHYKIZQBLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(10-15)5-4-8-14-13(16)9-12-6-2-3-7-12/h2,6,11-12,15H,3-5,7-10H2,1H3,(H,14,16).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide?
2-cyclopent-2-en-1-yl-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 225.33 g/mol, XLogP of 1.87, 7 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-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103861862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).