4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

C10H16 — CID 18818

IUPAC4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1CCC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
InChIKeyNDVASEGYNIMXJL-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds1

About 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 18818) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID18818
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1CCC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
InChIKeyNDVASEGYNIMXJL-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (CID 18818) is 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is C=C1CCC2(C(C)C)CC12.
What is the InChIKey of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is NDVASEGYNIMXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 18818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).