2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide

C12H21NO2 — CID 107318761

IUPAC2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide
SMILESO=C(CC1C=CCC1)NCCCCCO
InChIInChI=1S/C12H21NO2/c14-9-5-1-4-8-13-12(15)10-11-6-2-3-7-11/h2,6,11,14H,1,3-5,7-10H2,(H,13,15)
InChIKeyVUHQTMYTWROSFG-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.62
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide

2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide (PubChem CID 107318761) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide
PubChem CID107318761
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide
SMILESO=C(CC1C=CCC1)NCCCCCO
InChIInChI=1S/C12H21NO2/c14-9-5-1-4-8-13-12(15)10-11-6-2-3-7-11/h2,6,11,14H,1,3-5,7-10H2,(H,13,15)
InChIKeyVUHQTMYTWROSFG-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide (CID 107318761) is 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide is O=C(CC1C=CCC1)NCCCCCO.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide?
The InChIKey is VUHQTMYTWROSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-5-1-4-8-13-12(15)10-11-6-2-3-7-11/h2,6,11,14H,1,3-5,7-10H2,(H,13,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide?
2-cyclopent-2-en-1-yl-N-(5-hydroxypentyl)acetamide has a molecular weight of 211.30 g/mol, XLogP of 1.62, 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-hydroxypentyl)acetamide is sourced from PubChem (CID 107318761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).