(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one

C10H14O — CID 130922997

IUPAC(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one
SMILESC=C1C[C@@H]2CC(=O)[C@]2(C)C1C
InChIInChI=1S/C10H14O/c1-6-4-8-5-9(11)10(8,3)7(6)2/h7-8H,1,4-5H2,2-3H3/t7?,8-,10-/m1/s1
InChIKeyJPQXIQGSEJVZNU-JDOFKEMOSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds

About (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one

(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one (PubChem CID 130922997) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one
PubChem CID130922997
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one
SMILESC=C1C[C@@H]2CC(=O)[C@]2(C)C1C
InChIInChI=1S/C10H14O/c1-6-4-8-5-9(11)10(8,3)7(6)2/h7-8H,1,4-5H2,2-3H3/t7?,8-,10-/m1/s1
InChIKeyJPQXIQGSEJVZNU-JDOFKEMOSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
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

2,2-dimethyl-3-methylidenecyclopentan-1-one
CID 130031210
1,2,7-trimethyltricyclo[3.2.0.02,7]heptan-3-one
CID 144805594
1,7,7-trimethyl-5-methylidenebicyclo[2.2.1]heptan-2-one
CID 71400479
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one
CID 15628269
(1S,4R)-1-ethenyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 11084219
4,4,5-trimethylcyclohexane-1,2-dione
CID 130029950
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-sulfonate
CID 59415686
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
CID 170691417
3a-methyl-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-azulen-4-one
CID 130031618

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one (CID 130922997) is (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one is C=C1C[C@@H]2CC(=O)[C@]2(C)C1C.
What is the InChIKey of (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one?
The InChIKey is JPQXIQGSEJVZNU-JDOFKEMOSA-N. The full InChI is InChI=1S/C10H14O/c1-6-4-8-5-9(11)10(8,3)7(6)2/h7-8H,1,4-5H2,2-3H3/t7?,8-,10-/m1/s1.
What are the key properties of (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one?
(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 130922997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).