(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane

C9H16O — CID 142188671

IUPAC(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane
SMILESCC.CC1=CCC(=O)[C@@H]1C
InChIInChI=1S/C7H10O.C2H6/c1-5-3-4-7(8)6(5)2;1-2/h3,6H,4H2,1-2H3;1-2H3/t6-;/m1./s1
InChIKeyLLAQIRZRXOFCGQ-FYZOBXCZSA-N
MW140.23 g/mol
LogP2.57
Rot. Bonds

About (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane

(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane (PubChem CID 142188671) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane.

Molecular Properties

Compound Name(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane
PubChem CID142188671
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane
SMILESCC.CC1=CCC(=O)[C@@H]1C
InChIInChI=1S/C7H10O.C2H6/c1-5-3-4-7(8)6(5)2;1-2/h3,6H,4H2,1-2H3;1-2H3/t6-;/m1./s1
InChIKeyLLAQIRZRXOFCGQ-FYZOBXCZSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethynyl-2-methylcyclopent-3-en-1-one
CID 89446314
2-cyclopent-2-en-1-yl-3-methylcyclopent-3-en-1-one
CID 56637323
1-[(6S)-5,6-dimethyl-2-trimethylsilylcyclohexa-1,4-dien-1-yl]propan-1-one
CID 102296937
2,3-dimethyl-2,5-dihydro-1H-pyrrole
CID 55287377
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
3,8-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-one
CID 72671207
ethane;1-methyl-1,3-dihydroinden-2-one
CID 91072401
1,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 91239779
(3aS,7S,7aR)-3a,6,7-trimethyl-3,4,7,7a-tetrahydro-2H-inden-1-one
CID 134992312
(5R,6R,7Z)-5,6,8-trimethyl-2,3,5,6-tetrahydrooxocin-4-one
CID 15830421

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane?
The IUPAC name of (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane (CID 142188671) is (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane.
What is the SMILES notation for (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane?
The canonical SMILES for (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane is CC.CC1=CCC(=O)[C@@H]1C.
What is the InChIKey of (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane?
The InChIKey is LLAQIRZRXOFCGQ-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H10O.C2H6/c1-5-3-4-7(8)6(5)2;1-2/h3,6H,4H2,1-2H3;1-2H3/t6-;/m1./s1.
What are the key properties of (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane?
(2R)-2,3-dimethylcyclopent-3-en-1-one;ethane has a molecular weight of 140.23 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethylcyclopent-3-en-1-one;ethane is sourced from PubChem (CID 142188671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).