1,2-dichloro-5-methylidenecyclopenta-1,3-diene

C6H4Cl2 — CID 45090402

IUPAC1,2-dichloro-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC(Cl)=C1Cl
InChIInChI=1S/C6H4Cl2/c1-4-2-3-5(7)6(4)8/h2-3H,1H2
InChIKeyMKFCRMRYFGCWAZ-UHFFFAOYSA-N
MW147.00 g/mol
LogP2.80
Rot. Bonds

About 1,2-dichloro-5-methylidenecyclopenta-1,3-diene

1,2-dichloro-5-methylidenecyclopenta-1,3-diene (PubChem CID 45090402) has the molecular formula C6H4Cl2 and a molecular weight of 147.00 g/mol. Its IUPAC name is 1,2-dichloro-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2-dichloro-5-methylidenecyclopenta-1,3-diene
PubChem CID45090402
Molecular FormulaC6H4Cl2
Molecular Weight147.00 g/mol
Exact Mass145.97
IUPAC Name1,2-dichloro-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC(Cl)=C1Cl
InChIInChI=1S/C6H4Cl2/c1-4-2-3-5(7)6(4)8/h2-3H,1H2
InChIKeyMKFCRMRYFGCWAZ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.00
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1,2-dichloro-5-methylidenecyclopenta-1,3-diene (CID 45090402) is 1,2-dichloro-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1,2-dichloro-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1,2-dichloro-5-methylidenecyclopenta-1,3-diene is C=C1C=CC(Cl)=C1Cl.
What is the InChIKey of 1,2-dichloro-5-methylidenecyclopenta-1,3-diene?
The InChIKey is MKFCRMRYFGCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2/c1-4-2-3-5(7)6(4)8/h2-3H,1H2.
What are the key properties of 1,2-dichloro-5-methylidenecyclopenta-1,3-diene?
1,2-dichloro-5-methylidenecyclopenta-1,3-diene has a molecular weight of 147.00 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 45090402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).