1-chloro-4-methylcyclopenta-1,3-diene

C6H7Cl — CID 15148891

IUPAC1-chloro-4-methylcyclopenta-1,3-diene
SMILESCC1=CC=C(Cl)C1
InChIInChI=1S/C6H7Cl/c1-5-2-3-6(7)4-5/h2-3H,4H2,1H3
InChIKeyFVBZZYSKXKGEAF-UHFFFAOYSA-N
MW114.57 g/mol
LogP2.46
Rot. Bonds

About 1-chloro-4-methylcyclopenta-1,3-diene

1-chloro-4-methylcyclopenta-1,3-diene (PubChem CID 15148891) has the molecular formula C6H7Cl and a molecular weight of 114.57 g/mol. Its IUPAC name is 1-chloro-4-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chloro-4-methylcyclopenta-1,3-diene
PubChem CID15148891
Molecular FormulaC6H7Cl
Molecular Weight114.57 g/mol
Exact Mass114.02
IUPAC Name1-chloro-4-methylcyclopenta-1,3-diene
SMILESCC1=CC=C(Cl)C1
InChIInChI=1S/C6H7Cl/c1-5-2-3-6(7)4-5/h2-3H,4H2,1H3
InChIKeyFVBZZYSKXKGEAF-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.57
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Cyclopentadiene, 1-(chloromethyl)-
CID 12547296
1-(Trichloromethyl)cyclopenta-1,3-diene
CID 12651596
5-(1-Chloroethylidene)cyclopenta-1,3-diene
CID 12651605
1-Chloro-2-methylcyclohexa-1,3-diene
CID 14111369
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclopentene
CID 18737558
1-Chloro-2,3-dimethylcyclopenta-1,3-diene
CID 20189079
1-Chloro-4-methylcyclohexa-1,3-diene
CID 20511479
2-Chloro-1-methyl-3-methylidenecyclobutene
CID 20600468
1-Chloro-2-methylcyclopenta-1,3-diene
CID 20624798
2-Chloro-1-methyl-3-methylidenecyclopentene
CID 21138319
2-Chloro-1-methylcyclopenta-1,3-diene
CID 21191599
(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclopentene
CID 21351130

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylcyclopenta-1,3-diene?
The IUPAC name of 1-chloro-4-methylcyclopenta-1,3-diene (CID 15148891) is 1-chloro-4-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-chloro-4-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-chloro-4-methylcyclopenta-1,3-diene is CC1=CC=C(Cl)C1.
What is the InChIKey of 1-chloro-4-methylcyclopenta-1,3-diene?
The InChIKey is FVBZZYSKXKGEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl/c1-5-2-3-6(7)4-5/h2-3H,4H2,1H3.
What are the key properties of 1-chloro-4-methylcyclopenta-1,3-diene?
1-chloro-4-methylcyclopenta-1,3-diene has a molecular weight of 114.57 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylcyclopenta-1,3-diene is sourced from PubChem (CID 15148891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).