(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one

C9H12O2 — CID 14465364

IUPAC(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
SMILESCC1([C@H]2C=CC(=O)CC2)CO1
InChIInChI=1S/C9H12O2/c1-9(6-11-9)7-2-4-8(10)5-3-7/h2,4,7H,3,5-6H2,1H3/t7-,9?/m0/s1
InChIKeyQJHMYHBWIKRJJC-JAVCKPHESA-N
MW152.19 g/mol
LogP1.31
Rot. Bonds1

About (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one

(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one (PubChem CID 14465364) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
PubChem CID14465364
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
SMILESCC1([C@H]2C=CC(=O)CC2)CO1
InChIInChI=1S/C9H12O2/c1-9(6-11-9)7-2-4-8(10)5-3-7/h2,4,7H,3,5-6H2,1H3/t7-,9?/m0/s1
InChIKeyQJHMYHBWIKRJJC-JAVCKPHESA-N
XLogP1.31
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(2S)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
CID 129250076
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-
CID 9920473
Talaflavuterpenoid A
CID 139588469
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5R)-
CID 10511263
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5S)-
CID 11958202
2-[(2R)-1-[(2S)-3,3-dimethyloxiran-2-yl]but-3-en-2-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
CID 164671453
BH-9 (From san francisco state university)
CID 331349
(6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
CID 10511265
(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
CID 10773377
(E)-1-(3,3-dimethyloxiran-2-yl)-3,7-dimethyloct-5-en-4-one
CID 12105322
(4S)-4-[(2S)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
CID 101626285
(6S)-3-methyl-6-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
CID 13969438

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one?
The IUPAC name of (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one (CID 14465364) is (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one is CC1([C@H]2C=CC(=O)CC2)CO1.
What is the InChIKey of (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one?
The InChIKey is QJHMYHBWIKRJJC-JAVCKPHESA-N. The full InChI is InChI=1S/C9H12O2/c1-9(6-11-9)7-2-4-8(10)5-3-7/h2,4,7H,3,5-6H2,1H3/t7-,9?/m0/s1.
What are the key properties of (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one?
(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 14465364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).