1-chloropropylidenecyclopropane

C6H9Cl — CID 123724035

IUPAC1-chloropropylidenecyclopropane
SMILESCCC(Cl)=C1CC1
InChIInChI=1S/C6H9Cl/c1-2-6(7)5-3-4-5/h2-4H2,1H3
InChIKeyNMEGSUHHBDDYOI-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.68
Rot. Bonds1

About 1-chloropropylidenecyclopropane

1-chloropropylidenecyclopropane (PubChem CID 123724035) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-chloropropylidenecyclopropane.

Molecular Properties

Compound Name1-chloropropylidenecyclopropane
PubChem CID123724035
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-chloropropylidenecyclopropane
SMILESCCC(Cl)=C1CC1
InChIInChI=1S/C6H9Cl/c1-2-6(7)5-3-4-5/h2-4H2,1H3
InChIKeyNMEGSUHHBDDYOI-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloropropylidenecyclopropane?
The IUPAC name of 1-chloropropylidenecyclopropane (CID 123724035) is 1-chloropropylidenecyclopropane.
What is the SMILES notation for 1-chloropropylidenecyclopropane?
The canonical SMILES for 1-chloropropylidenecyclopropane is CCC(Cl)=C1CC1.
What is the InChIKey of 1-chloropropylidenecyclopropane?
The InChIKey is NMEGSUHHBDDYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c1-2-6(7)5-3-4-5/h2-4H2,1H3.
What are the key properties of 1-chloropropylidenecyclopropane?
1-chloropropylidenecyclopropane has a molecular weight of 116.59 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropylidenecyclopropane is sourced from PubChem (CID 123724035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).