3-methylidenecycloheptene

C8H12 — CID 564537

IUPAC3-methylidenecycloheptene
SMILESC=C1C=CCCCC1
InChIInChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h4,6H,1-3,5,7H2
InChIKeyKPPAAXJWTZVNCN-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds

About 3-methylidenecycloheptene

3-methylidenecycloheptene (PubChem CID 564537) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3-methylidenecycloheptene.

Molecular Properties

Compound Name3-methylidenecycloheptene
PubChem CID564537
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3-methylidenecycloheptene
SMILESC=C1C=CCCCC1
InChIInChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h4,6H,1-3,5,7H2
InChIKeyKPPAAXJWTZVNCN-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenecycloheptene?
The IUPAC name of 3-methylidenecycloheptene (CID 564537) is 3-methylidenecycloheptene.
What is the SMILES notation for 3-methylidenecycloheptene?
The canonical SMILES for 3-methylidenecycloheptene is C=C1C=CCCCC1.
What is the InChIKey of 3-methylidenecycloheptene?
The InChIKey is KPPAAXJWTZVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h4,6H,1-3,5,7H2.
What are the key properties of 3-methylidenecycloheptene?
3-methylidenecycloheptene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecycloheptene is sourced from PubChem (CID 564537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).