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

C10H16 — CID 6429260

IUPAC(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1CCC2(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-RGURZIINSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds1

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

(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 6429260) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID6429260
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1CCC2(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-RGURZIINSA-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 (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (CID 6429260) is (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is C=C1CCC2(C(C)C)C[C@@H]12.
What is the InChIKey of (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is NDVASEGYNIMXJL-RGURZIINSA-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 (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
(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 (5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 6429260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).