1-(2-chloroethyl)-2-methylcyclopropene

C6H9Cl — CID 13040279

IUPAC1-(2-chloroethyl)-2-methylcyclopropene
SMILESCC1=C(CCCl)C1
InChIInChI=1S/C6H9Cl/c1-5-4-6(5)2-3-7/h2-4H2,1H3
InChIKeyNQCZCMQMGKRSNO-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.34
Rot. Bonds2

About 1-(2-chloroethyl)-2-methylcyclopropene

1-(2-chloroethyl)-2-methylcyclopropene (PubChem CID 13040279) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-methylcyclopropene.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-methylcyclopropene
PubChem CID13040279
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-(2-chloroethyl)-2-methylcyclopropene
SMILESCC1=C(CCCl)C1
InChIInChI=1S/C6H9Cl/c1-5-4-6(5)2-3-7/h2-4H2,1H3
InChIKeyNQCZCMQMGKRSNO-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-2-methylcyclopropene?
The IUPAC name of 1-(2-chloroethyl)-2-methylcyclopropene (CID 13040279) is 1-(2-chloroethyl)-2-methylcyclopropene.
What is the SMILES notation for 1-(2-chloroethyl)-2-methylcyclopropene?
The canonical SMILES for 1-(2-chloroethyl)-2-methylcyclopropene is CC1=C(CCCl)C1.
What is the InChIKey of 1-(2-chloroethyl)-2-methylcyclopropene?
The InChIKey is NQCZCMQMGKRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c1-5-4-6(5)2-3-7/h2-4H2,1H3.
What are the key properties of 1-(2-chloroethyl)-2-methylcyclopropene?
1-(2-chloroethyl)-2-methylcyclopropene has a molecular weight of 116.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-methylcyclopropene is sourced from PubChem (CID 13040279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).