3-ethylidenecycloheptene

C9H14 — CID 564542

IUPAC3-ethylidenecycloheptene
SMILESCC=C1C=CCCCC1
InChIInChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3
InChIKeySYIBJHROSBOWGC-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds

About 3-ethylidenecycloheptene

3-ethylidenecycloheptene (PubChem CID 564542) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-ethylidenecycloheptene.

Molecular Properties

Compound Name3-ethylidenecycloheptene
PubChem CID564542
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-ethylidenecycloheptene
SMILESCC=C1C=CCCCC1
InChIInChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3
InChIKeySYIBJHROSBOWGC-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidenecycloheptene?
The IUPAC name of 3-ethylidenecycloheptene (CID 564542) is 3-ethylidenecycloheptene.
What is the SMILES notation for 3-ethylidenecycloheptene?
The canonical SMILES for 3-ethylidenecycloheptene is CC=C1C=CCCCC1.
What is the InChIKey of 3-ethylidenecycloheptene?
The InChIKey is SYIBJHROSBOWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3.
What are the key properties of 3-ethylidenecycloheptene?
3-ethylidenecycloheptene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidenecycloheptene is sourced from PubChem (CID 564542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).