2-chloro-1-methyl-3-methylidenecyclobutene

C6H7Cl — CID 20600468

IUPAC2-chloro-1-methyl-3-methylidenecyclobutene
SMILESC=C1CC(C)=C1Cl
InChIInChI=1S/C6H7Cl/c1-4-3-5(2)6(4)7/h1,3H2,2H3
InChIKeyOUOQRUVXGOBMPZ-UHFFFAOYSA-N
MW114.57 g/mol
LogP2.46
Rot. Bonds

About 2-chloro-1-methyl-3-methylidenecyclobutene

2-chloro-1-methyl-3-methylidenecyclobutene (PubChem CID 20600468) has the molecular formula C6H7Cl and a molecular weight of 114.57 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-methylidenecyclobutene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-methylidenecyclobutene
PubChem CID20600468
Molecular FormulaC6H7Cl
Molecular Weight114.57 g/mol
Exact Mass114.02
IUPAC Name2-chloro-1-methyl-3-methylidenecyclobutene
SMILESC=C1CC(C)=C1Cl
InChIInChI=1S/C6H7Cl/c1-4-3-5(2)6(4)7/h1,3H2,2H3
InChIKeyOUOQRUVXGOBMPZ-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 2-chloro-1-methyl-3-methylidenecyclobutene?
The IUPAC name of 2-chloro-1-methyl-3-methylidenecyclobutene (CID 20600468) is 2-chloro-1-methyl-3-methylidenecyclobutene.
What is the SMILES notation for 2-chloro-1-methyl-3-methylidenecyclobutene?
The canonical SMILES for 2-chloro-1-methyl-3-methylidenecyclobutene is C=C1CC(C)=C1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-methylidenecyclobutene?
The InChIKey is OUOQRUVXGOBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl/c1-4-3-5(2)6(4)7/h1,3H2,2H3.
What are the key properties of 2-chloro-1-methyl-3-methylidenecyclobutene?
2-chloro-1-methyl-3-methylidenecyclobutene 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 2-chloro-1-methyl-3-methylidenecyclobutene is sourced from PubChem (CID 20600468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).