3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one

C9H14O2 — CID 163011912

IUPAC3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one
SMILESCC[C@@H](C)C1=C(O)C(=O)CC1
InChIInChI=1S/C9H14O2/c1-3-6(2)7-4-5-8(10)9(7)11/h6,11H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyPQNHFKBVLISWHA-ZCFIWIBFSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds2

About 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one

3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one (PubChem CID 163011912) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one
PubChem CID163011912
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one
SMILESCC[C@@H](C)C1=C(O)C(=O)CC1
InChIInChI=1S/C9H14O2/c1-3-6(2)7-4-5-8(10)9(7)11/h6,11H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyPQNHFKBVLISWHA-ZCFIWIBFSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one?
The IUPAC name of 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one (CID 163011912) is 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one is CC[C@@H](C)C1=C(O)C(=O)CC1.
What is the InChIKey of 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one?
The InChIKey is PQNHFKBVLISWHA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-6(2)7-4-5-8(10)9(7)11/h6,11H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one?
3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]-2-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 163011912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).