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

C6H5Cl — CID 12651604

IUPAC5-(chloromethylidene)cyclopenta-1,3-diene
SMILESClC=C1C=CC=C1
InChIInChI=1S/C6H5Cl/c7-5-6-3-1-2-4-6/h1-5H
InChIKeyXZGZASKUKATCSN-UHFFFAOYSA-N
MW112.56 g/mol
LogP2.24
Rot. Bonds

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

5-(chloromethylidene)cyclopenta-1,3-diene (PubChem CID 12651604) has the molecular formula C6H5Cl and a molecular weight of 112.56 g/mol. Its IUPAC name is 5-(chloromethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(chloromethylidene)cyclopenta-1,3-diene
PubChem CID12651604
Molecular FormulaC6H5Cl
Molecular Weight112.56 g/mol
Exact Mass112.01
IUPAC Name5-(chloromethylidene)cyclopenta-1,3-diene
SMILESClC=C1C=CC=C1
InChIInChI=1S/C6H5Cl/c7-5-6-3-1-2-4-6/h1-5H
InChIKeyXZGZASKUKATCSN-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.56
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-Chloro-1,3-cyclopentadiene
CID 39041
2-Chloro-1,3-cyclopentadiene
CID 12542317
Tropylium chloride
CID 20564677
Dichlorofulvene
CID 45090402
Methylene chlorobenzene
CID 54066459
Chlorocimene
CID 129865500
Lithium chloromethylbenzene
CID 12269394
1,4-Bis(chloromethylene)benzene
CID 85867598
Divinyl allyl chloride
CID 129774099
5-[(E)-3-chloroprop-2-enylidene]cyclopenta-1,3-diene
CID 133613600
3-Chloroprop-1-enylbenzene;yttrium
CID 134860836
5-(Chloromethylidene)cyclopenta-1,3-diene fluoride
CID 139243619

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(chloromethylidene)cyclopenta-1,3-diene (CID 12651604) is 5-(chloromethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(chloromethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(chloromethylidene)cyclopenta-1,3-diene is ClC=C1C=CC=C1.
What is the InChIKey of 5-(chloromethylidene)cyclopenta-1,3-diene?
The InChIKey is XZGZASKUKATCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl/c7-5-6-3-1-2-4-6/h1-5H.
What are the key properties of 5-(chloromethylidene)cyclopenta-1,3-diene?
5-(chloromethylidene)cyclopenta-1,3-diene has a molecular weight of 112.56 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 12651604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).