1-chloro-2-methylcyclopenta-1,3-diene

C6H7Cl — CID 20624798

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

About 1-chloro-2-methylcyclopenta-1,3-diene

1-chloro-2-methylcyclopenta-1,3-diene (PubChem CID 20624798) has the molecular formula C6H7Cl and a molecular weight of 114.57 g/mol. Its IUPAC name is 1-chloro-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-chloro-2-methylcyclopenta-1,3-diene
PubChem CID20624798
Molecular FormulaC6H7Cl
Molecular Weight114.57 g/mol
Exact Mass114.02
IUPAC Name1-chloro-2-methylcyclopenta-1,3-diene
SMILESCC1=C(Cl)CC=C1
InChIInChI=1S/C6H7Cl/c1-5-3-2-4-6(5)7/h2-3H,4H2,1H3
InChIKeyHFLYDEVWHINXHP-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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylcyclopenta-1,3-diene?
The IUPAC name of 1-chloro-2-methylcyclopenta-1,3-diene (CID 20624798) is 1-chloro-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-chloro-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-chloro-2-methylcyclopenta-1,3-diene is CC1=C(Cl)CC=C1.
What is the InChIKey of 1-chloro-2-methylcyclopenta-1,3-diene?
The InChIKey is HFLYDEVWHINXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl/c1-5-3-2-4-6(5)7/h2-3H,4H2,1H3.
What are the key properties of 1-chloro-2-methylcyclopenta-1,3-diene?
1-chloro-2-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-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 20624798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).