(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane

C9H14 — CID 147109559

IUPAC(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane
SMILESC/C=C1/CC2CC2C1C
InChIInChI=1S/C9H14/c1-3-7-4-8-5-9(8)6(7)2/h3,6,8-9H,4-5H2,1-2H3/b7-3-
InChIKeyBMFVKOSFXFYFBR-CLTKARDFSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds

About (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane

(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane (PubChem CID 147109559) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane
PubChem CID147109559
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane
SMILESC/C=C1/CC2CC2C1C
InChIInChI=1S/C9H14/c1-3-7-4-8-5-9(8)6(7)2/h3,6,8-9H,4-5H2,1-2H3/b7-3-
InChIKeyBMFVKOSFXFYFBR-CLTKARDFSA-N
XLogP2.61
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 ≤ 52.61
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 (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane?
The IUPAC name of (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane (CID 147109559) is (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane?
The canonical SMILES for (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane is C/C=C1/CC2CC2C1C.
What is the InChIKey of (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane?
The InChIKey is BMFVKOSFXFYFBR-CLTKARDFSA-N. The full InChI is InChI=1S/C9H14/c1-3-7-4-8-5-9(8)6(7)2/h3,6,8-9H,4-5H2,1-2H3/b7-3-.
What are the key properties of (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane?
(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 147109559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).