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

C7H7Cl — CID 12651605

IUPAC5-(1-chloroethylidene)cyclopenta-1,3-diene
SMILESCC(Cl)=C1C=CC=C1
InChIInChI=1S/C7H7Cl/c1-6(8)7-4-2-3-5-7/h2-5H,1H3
InChIKeyWGXASONZCMRWGK-UHFFFAOYSA-N
MW126.59 g/mol
LogP2.63
Rot. Bonds

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

5-(1-chloroethylidene)cyclopenta-1,3-diene (PubChem CID 12651605) has the molecular formula C7H7Cl and a molecular weight of 126.59 g/mol. Its IUPAC name is 5-(1-chloroethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1-chloroethylidene)cyclopenta-1,3-diene
PubChem CID12651605
Molecular FormulaC7H7Cl
Molecular Weight126.59 g/mol
Exact Mass126.02
IUPAC Name5-(1-chloroethylidene)cyclopenta-1,3-diene
SMILESCC(Cl)=C1C=CC=C1
InChIInChI=1S/C7H7Cl/c1-6(8)7-4-2-3-5-7/h2-5H,1H3
InChIKeyWGXASONZCMRWGK-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.59
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fulvene
CID 136323
2-Methylcyclopentadiene
CID 138026
1,3-Cyclopentadiene, 5-ethenylidene-
CID 141330
2-Chloro-1,3-cyclopentadiene
CID 12542317
6-Methylfulvene
CID 138062
Magnesium bromide 4-chloro-2-methylbenzen-1-ide (1/1/1)
CID 16217189
Cyclopentadienyl chloride
CID 11984975
5-(Chloromethylidene)cyclopenta-1,3-diene
CID 12651604
Sodium methylcyclopentadi-enide
CID 22482610
Dichlorofulvene
CID 45090402
Magnesium;1-chloro-3-methyl-benzene-4-ide;bromide
CID 54711286
Lithium 3-chloro-4-methylbenzen-1-ide
CID 71404570

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(1-chloroethylidene)cyclopenta-1,3-diene (CID 12651605) is 5-(1-chloroethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1-chloroethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(1-chloroethylidene)cyclopenta-1,3-diene is CC(Cl)=C1C=CC=C1.
What is the InChIKey of 5-(1-chloroethylidene)cyclopenta-1,3-diene?
The InChIKey is WGXASONZCMRWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl/c1-6(8)7-4-2-3-5-7/h2-5H,1H3.
What are the key properties of 5-(1-chloroethylidene)cyclopenta-1,3-diene?
5-(1-chloroethylidene)cyclopenta-1,3-diene has a molecular weight of 126.59 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 12651605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).