1-ethenylcycloheptene

C9H14 — CID 12682062

IUPAC1-ethenylcycloheptene
SMILESC=CC1=CCCCCC1
InChIInChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,7H,1,3-6,8H2
InChIKeyIGCQXPZQGHULRC-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds1

About 1-ethenylcycloheptene

1-ethenylcycloheptene (PubChem CID 12682062) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethenylcycloheptene.

Molecular Properties

Compound Name1-ethenylcycloheptene
PubChem CID12682062
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethenylcycloheptene
SMILESC=CC1=CCCCCC1
InChIInChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,7H,1,3-6,8H2
InChIKeyIGCQXPZQGHULRC-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1-ethenylcycloheptene?
The IUPAC name of 1-ethenylcycloheptene (CID 12682062) is 1-ethenylcycloheptene.
What is the SMILES notation for 1-ethenylcycloheptene?
The canonical SMILES for 1-ethenylcycloheptene is C=CC1=CCCCCC1.
What is the InChIKey of 1-ethenylcycloheptene?
The InChIKey is IGCQXPZQGHULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,7H,1,3-6,8H2.
What are the key properties of 1-ethenylcycloheptene?
1-ethenylcycloheptene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcycloheptene is sourced from PubChem (CID 12682062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).