1-chlorocyclopenta-1,3-diene

C5H5Cl — CID 11984975

IUPAC1-chlorocyclopenta-1,3-diene
SMILESClC1=CC=CC1
InChIInChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1-3H,4H2
InChIKeyXSGLORNRAPZQHY-UHFFFAOYSA-N
MW100.55 g/mol
LogP2.07
Rot. Bonds

About 1-chlorocyclopenta-1,3-diene

1-chlorocyclopenta-1,3-diene (PubChem CID 11984975) has the molecular formula C5H5Cl and a molecular weight of 100.55 g/mol. Its IUPAC name is 1-chlorocyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chlorocyclopenta-1,3-diene
PubChem CID11984975
Molecular FormulaC5H5Cl
Molecular Weight100.55 g/mol
Exact Mass100.01
IUPAC Name1-chlorocyclopenta-1,3-diene
SMILESClC1=CC=CC1
InChIInChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1-3H,4H2
InChIKeyXSGLORNRAPZQHY-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.55
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chlorocyclopenta-1,3-diene?
The IUPAC name of 1-chlorocyclopenta-1,3-diene (CID 11984975) is 1-chlorocyclopenta-1,3-diene.
What is the SMILES notation for 1-chlorocyclopenta-1,3-diene?
The canonical SMILES for 1-chlorocyclopenta-1,3-diene is ClC1=CC=CC1.
What is the InChIKey of 1-chlorocyclopenta-1,3-diene?
The InChIKey is XSGLORNRAPZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1-3H,4H2.
What are the key properties of 1-chlorocyclopenta-1,3-diene?
1-chlorocyclopenta-1,3-diene has a molecular weight of 100.55 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorocyclopenta-1,3-diene is sourced from PubChem (CID 11984975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).