1-(2-chloroethyl)cyclopenta-1,3-diene

C7H9Cl — CID 67710755

IUPAC1-(2-chloroethyl)cyclopenta-1,3-diene
SMILESClCCC1=CC=CC1
InChIInChI=1S/C7H9Cl/c8-6-5-7-3-1-2-4-7/h1-3H,4-6H2
InChIKeyYXNDOHCFWMBUCV-UHFFFAOYSA-N
MW128.60 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-chloroethyl)cyclopenta-1,3-diene

1-(2-chloroethyl)cyclopenta-1,3-diene (PubChem CID 67710755) has the molecular formula C7H9Cl and a molecular weight of 128.60 g/mol. Its IUPAC name is 1-(2-chloroethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-chloroethyl)cyclopenta-1,3-diene
PubChem CID67710755
Molecular FormulaC7H9Cl
Molecular Weight128.60 g/mol
Exact Mass128.04
IUPAC Name1-(2-chloroethyl)cyclopenta-1,3-diene
SMILESClCCC1=CC=CC1
InChIInChI=1S/C7H9Cl/c8-6-5-7-3-1-2-4-7/h1-3H,4-6H2
InChIKeyYXNDOHCFWMBUCV-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.60
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-chloroethyl)cyclopenta-1,3-diene (CID 67710755) is 1-(2-chloroethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-chloroethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-chloroethyl)cyclopenta-1,3-diene is ClCCC1=CC=CC1.
What is the InChIKey of 1-(2-chloroethyl)cyclopenta-1,3-diene?
The InChIKey is YXNDOHCFWMBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl/c8-6-5-7-3-1-2-4-7/h1-3H,4-6H2.
What are the key properties of 1-(2-chloroethyl)cyclopenta-1,3-diene?
1-(2-chloroethyl)cyclopenta-1,3-diene has a molecular weight of 128.60 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 67710755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).