2-propan-2-ylidenebicyclo[3.1.0]hexane

C9H14 — CID 91271267

IUPAC2-propan-2-ylidenebicyclo[3.1.0]hexane
SMILESCC(C)=C1CCC2CC12
InChIInChI=1S/C9H14/c1-6(2)8-4-3-7-5-9(7)8/h7,9H,3-5H2,1-2H3
InChIKeyQFKBDKYJCOKWAK-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 2-propan-2-ylidenebicyclo[3.1.0]hexane

2-propan-2-ylidenebicyclo[3.1.0]hexane (PubChem CID 91271267) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-propan-2-ylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-propan-2-ylidenebicyclo[3.1.0]hexane
PubChem CID91271267
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-propan-2-ylidenebicyclo[3.1.0]hexane
SMILESCC(C)=C1CCC2CC12
InChIInChI=1S/C9H14/c1-6(2)8-4-3-7-5-9(7)8/h7,9H,3-5H2,1-2H3
InChIKeyQFKBDKYJCOKWAK-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-Isopropylidenebicyclo(3.1.0)hexane
CID 556529
Bwhtyiqorhhvcd-uhfffaoysa-
CID 14974781
1-Cyclopropylideneethylcyclohexane
CID 85677904
2-Cyclopropylidene-1,4-dimethylcyclohexane
CID 54012682
(2E)-1-methyl-2-(2-methylcyclopentylidene)cyclohexane
CID 60037258
1-Methyl-2-(2-methylcyclopentylidene)cyclohexane
CID 74047326
2-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 123248572
6-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 123678014
3-Ethyl-2-methylbicyclo[2.1.0]pent-1-ene
CID 123793718
3-Cyclopropylhexan-2-ylidenecyclopentane
CID 123813212
(1S,5R)-3-ethylidenebicyclo[3.1.0]hexane
CID 141771796
1-Cyclopropylidenepropylcyclohexane
CID 141906598

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidenebicyclo[3.1.0]hexane?
The IUPAC name of 2-propan-2-ylidenebicyclo[3.1.0]hexane (CID 91271267) is 2-propan-2-ylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for 2-propan-2-ylidenebicyclo[3.1.0]hexane?
The canonical SMILES for 2-propan-2-ylidenebicyclo[3.1.0]hexane is CC(C)=C1CCC2CC12.
What is the InChIKey of 2-propan-2-ylidenebicyclo[3.1.0]hexane?
The InChIKey is QFKBDKYJCOKWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6(2)8-4-3-7-5-9(7)8/h7,9H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylidenebicyclo[3.1.0]hexane?
2-propan-2-ylidenebicyclo[3.1.0]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 91271267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).