1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone

C12H18O2 — CID 135036734

IUPAC1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone
SMILESC=C[C@H]1CCC([C@@H]2CO2)[C@]1(C)C(C)=O
InChIInChI=1S/C12H18O2/c1-4-9-5-6-10(11-7-14-11)12(9,3)8(2)13/h4,9-11H,1,5-7H2,2-3H3/t9-,10?,11-,12+/m0/s1
InChIKeyYRCHDWMBHWGKSO-YEJSDXFRSA-N
MW194.27 g/mol
LogP2.19
Rot. Bonds3

About 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone

1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone (PubChem CID 135036734) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone
PubChem CID135036734
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone
SMILESC=C[C@H]1CCC([C@@H]2CO2)[C@]1(C)C(C)=O
InChIInChI=1S/C12H18O2/c1-4-9-5-6-10(11-7-14-11)12(9,3)8(2)13/h4,9-11H,1,5-7H2,2-3H3/t9-,10?,11-,12+/m0/s1
InChIKeyYRCHDWMBHWGKSO-YEJSDXFRSA-N
XLogP2.19
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
CID 51040055
rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
CID 51040056
(1R,3S,5S,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-15-one
CID 53326625
(1R,3S,5S,8E,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-15-one
CID 51040052
(1S,3R,5S,8E,12R,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-15-one
CID 162908500
(1S,4S,6S,12R,15S)-4,9,12-trimethyl-15-prop-1-en-2-yl-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-13-one
CID 163005798
3,18-Dolabelladiene
CID 54608901
(3aR,6aR)-4,4,6,6-tetraallyl-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
CID 480091
3,4-Epoxy-14-oxo-7,18-dolabelladiene
CID 5916039
1-[3-Ethenyl-4-(oxiran-2-yl)cyclopentyl]ethanone
CID 23384659
1-[3-(oxiran-2-yl)-4-[(Z)-prop-1-enyl]cyclopentyl]ethanone
CID 59911281
1-[(1S,3R,4S)-3-(oxiran-2-yl)-4-[(Z)-prop-1-enyl]cyclopentyl]ethanone
CID 60089411

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone (CID 135036734) is 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone is C=C[C@H]1CCC([C@@H]2CO2)[C@]1(C)C(C)=O.
What is the InChIKey of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone?
The InChIKey is YRCHDWMBHWGKSO-YEJSDXFRSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-9-5-6-10(11-7-14-11)12(9,3)8(2)13/h4,9-11H,1,5-7H2,2-3H3/t9-,10?,11-,12+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone?
1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone has a molecular weight of 194.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanone is sourced from PubChem (CID 135036734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).