(5S)-5-methylcyclohex-2-en-1-one

C7H10O — CID 642470

IUPAC(5S)-5-methylcyclohex-2-en-1-one
SMILESC[C@H]1CC=CC(=O)C1
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1
InChIKeyNQICQYZVEPBJON-LURJTMIESA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds

About (5S)-5-methylcyclohex-2-en-1-one

(5S)-5-methylcyclohex-2-en-1-one (PubChem CID 642470) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (5S)-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-methylcyclohex-2-en-1-one
PubChem CID642470
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(5S)-5-methylcyclohex-2-en-1-one
SMILESC[C@H]1CC=CC(=O)C1
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1
InChIKeyNQICQYZVEPBJON-LURJTMIESA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Carvone, (+)-
CID 16724
Carvone, (+-)-
CID 7439
2-Cyclohexen-1-one
CID 13594
Carvone, (-)-
CID 439570
Delta-Damascone
CID 5365916
4-Isopropyl-2-cyclohexenone
CID 92780
3-Methyl-5-propylcyclohex-2-en-1-one
CID 3782139
5-Methyl-2-hepten-4-one
CID 5362588
Methyl-delta-ionone
CID 5463913
2,6,6-Trimethyl-2-cyclohexen-1-one
CID 88332
2-Methyl-5-(propan-2-yl)cyclohex-2-en-1-one
CID 521267
Carvotanacetone
CID 6432475

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylcyclohex-2-en-1-one?
The IUPAC name of (5S)-5-methylcyclohex-2-en-1-one (CID 642470) is (5S)-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5S)-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (5S)-5-methylcyclohex-2-en-1-one is C[C@H]1CC=CC(=O)C1.
What is the InChIKey of (5S)-5-methylcyclohex-2-en-1-one?
The InChIKey is NQICQYZVEPBJON-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-methylcyclohex-2-en-1-one?
(5S)-5-methylcyclohex-2-en-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 642470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).