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

C9H14O2 — CID 13027966

IUPAC2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CCCO)C(=O)CC1
InChIInChI=1S/C9H14O2/c1-7-4-5-9(11)8(7)3-2-6-10/h10H,2-6H2,1H3
InChIKeyGSNQXNCBTPYJEJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds3

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

2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one (PubChem CID 13027966) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
PubChem CID13027966
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CCCO)C(=O)CC1
InChIInChI=1S/C9H14O2/c1-7-4-5-9(11)8(7)3-2-6-10/h10H,2-6H2,1H3
InChIKeyGSNQXNCBTPYJEJ-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one (CID 13027966) is 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one is CC1=C(CCCO)C(=O)CC1.
What is the InChIKey of 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is GSNQXNCBTPYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-5-9(11)8(7)3-2-6-10/h10H,2-6H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one?
2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 13027966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).