5-(chloromethyl)cyclopenta-1,3-diene

C6H7Cl — CID 12547294

IUPAC5-(chloromethyl)cyclopenta-1,3-diene
SMILESClCC1C=CC=C1
InChIInChI=1S/C6H7Cl/c7-5-6-3-1-2-4-6/h1-4,6H,5H2
InChIKeyIYANGZMKAKZTIV-UHFFFAOYSA-N
MW114.57 g/mol
LogP1.97
Rot. Bonds1

About 5-(chloromethyl)cyclopenta-1,3-diene

5-(chloromethyl)cyclopenta-1,3-diene (PubChem CID 12547294) has the molecular formula C6H7Cl and a molecular weight of 114.57 g/mol. Its IUPAC name is 5-(chloromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(chloromethyl)cyclopenta-1,3-diene
PubChem CID12547294
Molecular FormulaC6H7Cl
Molecular Weight114.57 g/mol
Exact Mass114.02
IUPAC Name5-(chloromethyl)cyclopenta-1,3-diene
SMILESClCC1C=CC=C1
InChIInChI=1S/C6H7Cl/c7-5-6-3-1-2-4-6/h1-4,6H,5H2
InChIKeyIYANGZMKAKZTIV-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.57
LogP ≤ 51.97
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 5-(chloromethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(chloromethyl)cyclopenta-1,3-diene (CID 12547294) is 5-(chloromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(chloromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(chloromethyl)cyclopenta-1,3-diene is ClCC1C=CC=C1.
What is the InChIKey of 5-(chloromethyl)cyclopenta-1,3-diene?
The InChIKey is IYANGZMKAKZTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl/c7-5-6-3-1-2-4-6/h1-4,6H,5H2.
What are the key properties of 5-(chloromethyl)cyclopenta-1,3-diene?
5-(chloromethyl)cyclopenta-1,3-diene has a molecular weight of 114.57 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12547294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).