(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one

C11H16O — CID 11480629

IUPAC(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one
SMILESC=C1C[C@]2(C(C)C)CCC(=O)[C@H]12
InChIInChI=1S/C11H16O/c1-7(2)11-5-4-9(12)10(11)8(3)6-11/h7,10H,3-6H2,1-2H3/t10-,11-/m0/s1
InChIKeyVCXLWZNKFCQYCZ-QWRGUYRKSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds1

About (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one

(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one (PubChem CID 11480629) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one
PubChem CID11480629
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one
SMILESC=C1C[C@]2(C(C)C)CCC(=O)[C@H]12
InChIInChI=1S/C11H16O/c1-7(2)11-5-4-9(12)10(11)8(3)6-11/h7,10H,3-6H2,1-2H3/t10-,11-/m0/s1
InChIKeyVCXLWZNKFCQYCZ-QWRGUYRKSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
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

7-methylidene-6-propan-2-ylbicyclo[4.2.0]octan-2-one
CID 85247201
(4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 59390116
(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 57468135
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 175675689
2-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydronaphthalen-1-one
CID 74397074
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 173099126
(1R,5R)-1-methyl-2-methylidene-5-propan-2-ylbicyclo[3.1.0]hexane
CID 177272317
(1S,6S)-6-propan-2-yl-3-azabicyclo[4.1.0]heptan-2-one
CID 102114501
2-methyl-3-methylidenecyclopentan-1-one
CID 58905861
(3aS,6aR)-6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydro-3aH-pentalen-1-one
CID 10515764
(3aS)-3a,6,6-trimethyl-3,4,5,6a-tetrahydro-2H-pentalen-1-one
CID 155116057
(1S,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 5459764

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one (CID 11480629) is (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one is C=C1C[C@]2(C(C)C)CCC(=O)[C@H]12.
What is the InChIKey of (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one?
The InChIKey is VCXLWZNKFCQYCZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16O/c1-7(2)11-5-4-9(12)10(11)8(3)6-11/h7,10H,3-6H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one?
(1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7-methylidene-5-propan-2-ylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 11480629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).