N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide

C9H15NO2 — CID 121323959

IUPACN-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide
SMILESCC(=O)NC(C)C1(O)CC=CC1
InChIInChI=1S/C9H15NO2/c1-7(10-8(2)11)9(12)5-3-4-6-9/h3-4,7,12H,5-6H2,1-2H3,(H,10,11)
InChIKeyPMKXSUUFANQXFS-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.59
Rot. Bonds2

About N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide

N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide (PubChem CID 121323959) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide
PubChem CID121323959
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide
SMILESCC(=O)NC(C)C1(O)CC=CC1
InChIInChI=1S/C9H15NO2/c1-7(10-8(2)11)9(12)5-3-4-6-9/h3-4,7,12H,5-6H2,1-2H3,(H,10,11)
InChIKeyPMKXSUUFANQXFS-UHFFFAOYSA-N
XLogP0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.59
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-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide?
The IUPAC name of N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide (CID 121323959) is N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide is CC(=O)NC(C)C1(O)CC=CC1.
What is the InChIKey of N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide?
The InChIKey is PMKXSUUFANQXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(10-8(2)11)9(12)5-3-4-6-9/h3-4,7,12H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide?
N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide has a molecular weight of 169.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxycyclopent-3-en-1-yl)ethyl]acetamide is sourced from PubChem (CID 121323959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).