(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene

C11H13Cl — CID 21351130

IUPAC(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene
SMILESC=C/C=C1\CCC(/C=C/C)=C1Cl
InChIInChI=1S/C11H13Cl/c1-3-5-9-7-8-10(6-4-2)11(9)12/h3-6H,1,7-8H2,2H3/b6-4+,9-5+
InChIKeyIMYSWOGNAIXMRB-REZHQCRGSA-N
MW180.68 g/mol
LogP3.96
Rot. Bonds2

About (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene

(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene (PubChem CID 21351130) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene.

Molecular Properties

Compound Name(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene
PubChem CID21351130
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene
SMILESC=C/C=C1\CCC(/C=C/C)=C1Cl
InChIInChI=1S/C11H13Cl/c1-3-5-9-7-8-10(6-4-2)11(9)12/h3-6H,1,7-8H2,2H3/b6-4+,9-5+
InChIKeyIMYSWOGNAIXMRB-REZHQCRGSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.96
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-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene?
The IUPAC name of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene (CID 21351130) is (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene.
What is the SMILES notation for (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene?
The canonical SMILES for (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene is C=C/C=C1\CCC(/C=C/C)=C1Cl.
What is the InChIKey of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene?
The InChIKey is IMYSWOGNAIXMRB-REZHQCRGSA-N. The full InChI is InChI=1S/C11H13Cl/c1-3-5-9-7-8-10(6-4-2)11(9)12/h3-6H,1,7-8H2,2H3/b6-4+,9-5+.
What are the key properties of (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene?
(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene has a molecular weight of 180.68 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene is sourced from PubChem (CID 21351130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).