(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

C10H16 — CID 11051711

IUPAC(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1CC[C@@]2(C(C)C)C[C@@H]12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyNDVASEGYNIMXJL-UWVGGRQHSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds1

About (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 11051711) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID11051711
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1CC[C@@]2(C(C)C)C[C@@H]12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyNDVASEGYNIMXJL-UWVGGRQHSA-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'}

Analyze (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (CID 11051711) is (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is C=C1CC[C@@]2(C(C)C)C[C@@H]12.
What is the InChIKey of (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is NDVASEGYNIMXJL-UWVGGRQHSA-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/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
(1S,5S)-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 (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 11051711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).