(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene

C9H11Cl — CID 18737558

IUPAC(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene
SMILESC=CC1=C(Cl)/C(=C/C)CC1
InChIInChI=1S/C9H11Cl/c1-3-7-5-6-8(4-2)9(7)10/h3-4H,1,5-6H2,2H3/b8-4+
InChIKeyUCBMZIAJCJCRSG-XBXARRHUSA-N
MW154.64 g/mol
LogP3.41
Rot. Bonds1

About (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene

(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene (PubChem CID 18737558) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene.

Molecular Properties

Compound Name(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene
PubChem CID18737558
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene
SMILESC=CC1=C(Cl)/C(=C/C)CC1
InChIInChI=1S/C9H11Cl/c1-3-7-5-6-8(4-2)9(7)10/h3-4H,1,5-6H2,2H3/b8-4+
InChIKeyUCBMZIAJCJCRSG-XBXARRHUSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene?
The IUPAC name of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene (CID 18737558) is (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene.
What is the SMILES notation for (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene?
The canonical SMILES for (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene is C=CC1=C(Cl)/C(=C/C)CC1.
What is the InChIKey of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene?
The InChIKey is UCBMZIAJCJCRSG-XBXARRHUSA-N. The full InChI is InChI=1S/C9H11Cl/c1-3-7-5-6-8(4-2)9(7)10/h3-4H,1,5-6H2,2H3/b8-4+.
What are the key properties of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene?
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene has a molecular weight of 154.64 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene is sourced from PubChem (CID 18737558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).