7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane

C12H16 — CID 71333998

IUPAC7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane
SMILESCC(C)=C=C=C1C2CCCCC12
InChIInChI=1S/C12H16/c1-9(2)7-8-12-10-5-3-4-6-11(10)12/h10-11H,3-6H2,1-2H3
InChIKeyILPQBJLXFWZTMZ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.45
Rot. Bonds

About 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane

7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane (PubChem CID 71333998) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane
PubChem CID71333998
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane
SMILESCC(C)=C=C=C1C2CCCCC12
InChIInChI=1S/C12H16/c1-9(2)7-8-12-10-5-3-4-6-11(10)12/h10-11H,3-6H2,1-2H3
InChIKeyILPQBJLXFWZTMZ-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane?
The IUPAC name of 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane (CID 71333998) is 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane?
The canonical SMILES for 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane is CC(C)=C=C=C1C2CCCCC12.
What is the InChIKey of 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane?
The InChIKey is ILPQBJLXFWZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9(2)7-8-12-10-5-3-4-6-11(10)12/h10-11H,3-6H2,1-2H3.
What are the key properties of 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane?
7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane has a molecular weight of 160.26 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbuta-1,2-dienylidene)bicyclo[4.1.0]heptane is sourced from PubChem (CID 71333998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).