2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one

C8H12O2 — CID 13027965

IUPAC2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CCO)C(=O)CC1
InChIInChI=1S/C8H12O2/c1-6-2-3-8(10)7(6)4-5-9/h9H,2-5H2,1H3
InChIKeyPMLLFIVVNOYGRL-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one

2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one (PubChem CID 13027965) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one
PubChem CID13027965
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CCO)C(=O)CC1
InChIInChI=1S/C8H12O2/c1-6-2-3-8(10)7(6)4-5-9/h9H,2-5H2,1H3
InChIKeyPMLLFIVVNOYGRL-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one (CID 13027965) is 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one is CC1=C(CCO)C(=O)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is PMLLFIVVNOYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-2-3-8(10)7(6)4-5-9/h9H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one?
2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 13027965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).