(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one

C9H14O — CID 130737248

IUPAC(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
SMILESCC1=CC(=O)[C@@H](C(C)C)C1
InChIInChI=1S/C9H14O/c1-6(2)8-4-7(3)5-9(8)10/h5-6,8H,4H2,1-3H3/t8-/m1/s1
InChIKeyPVHDVKUYSLYVFQ-MRVPVSSYSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds1

About (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one

(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one (PubChem CID 130737248) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
PubChem CID130737248
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
SMILESCC1=CC(=O)[C@@H](C(C)C)C1
InChIInChI=1S/C9H14O/c1-6(2)8-4-7(3)5-9(8)10/h5-6,8H,4H2,1-3H3/t8-/m1/s1
InChIKeyPVHDVKUYSLYVFQ-MRVPVSSYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
CID 11095650
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CID 130858490
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CID 6984967
6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
CID 130037393
3-methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101
3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
(3S,8S)-3,8-di(propan-2-yl)-3,4,7,8-tetrahydrooxonine-2,9-dione
CID 91112711
6-acetyl-3,5-dimethylcyclohex-2-en-1-one
CID 3613524
(6R)-3-ethoxy-6-propan-2-ylcyclohex-2-en-1-one
CID 93485985
6-propan-2-ylcyclohex-2-en-1-one
CID 12657624
2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide
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CID 24836956

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one (CID 130737248) is (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one is CC1=CC(=O)[C@@H](C(C)C)C1.
What is the InChIKey of (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is PVHDVKUYSLYVFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O/c1-6(2)8-4-7(3)5-9(8)10/h5-6,8H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one?
(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 130737248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).