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

C6H7Cl — CID 12547296

IUPAC1-(chloromethyl)cyclopenta-1,3-diene
SMILESClCC1=CC=CC1
InChIInChI=1S/C6H7Cl/c7-5-6-3-1-2-4-6/h1-3H,4-5H2
InChIKeyLTQMELLEJGKEDX-UHFFFAOYSA-N
MW114.57 g/mol
LogP2.11
Rot. Bonds1

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

1-(chloromethyl)cyclopenta-1,3-diene (PubChem CID 12547296) has the molecular formula C6H7Cl and a molecular weight of 114.57 g/mol. Its IUPAC name is 1-(chloromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(chloromethyl)cyclopenta-1,3-diene
PubChem CID12547296
Molecular FormulaC6H7Cl
Molecular Weight114.57 g/mol
Exact Mass114.02
IUPAC Name1-(chloromethyl)cyclopenta-1,3-diene
SMILESClCC1=CC=CC1
InChIInChI=1S/C6H7Cl/c7-5-6-3-1-2-4-6/h1-3H,4-5H2
InChIKeyLTQMELLEJGKEDX-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(Chloromethylidene)cyclopenta-1,3-diene
CID 12651604
1-(Chloromethyl)cyclohepta-1,3,5-triene
CID 12899029
Bicyclo[2.2.1]hepta-2,5-diene,7-chloro-
CID 21122144
Methylene chlorobenzene
CID 54066459
{2-[1-(Chloromethyl)vinyl]-n-allyl}cyclopentadienylpalladium
CID 129665440
2-Chloro-3-(chloromethylene)cyclopentene
CID 129812606
5-[(E)-3-chloroprop-2-enylidene]cyclopenta-1,3-diene
CID 133613600
5-(Chloromethylidene)cyclopenta-1,3-diene fluoride
CID 139243619
Lithium 2-(2-chloroethyl)benzen-1-ide
CID 71341532
5-[2-(Chloromethyl)cyclopropylidene]cyclopenta-1,3-diene
CID 15470446
5-Chloro-2-methylcyclohexa-1,3-diene
CID 12091014
5-(Chloromethyl)cyclopenta-1,3-diene
CID 12547294

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(chloromethyl)cyclopenta-1,3-diene (CID 12547296) is 1-(chloromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(chloromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(chloromethyl)cyclopenta-1,3-diene is ClCC1=CC=CC1.
What is the InChIKey of 1-(chloromethyl)cyclopenta-1,3-diene?
The InChIKey is LTQMELLEJGKEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl/c7-5-6-3-1-2-4-6/h1-3H,4-5H2.
What are the key properties of 1-(chloromethyl)cyclopenta-1,3-diene?
1-(chloromethyl)cyclopenta-1,3-diene has a molecular weight of 114.57 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12547296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).