1-chloro-2-[(E)-prop-1-enyl]cyclopropane

C6H9Cl — CID 5367595

IUPAC1-chloro-2-[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/C1CC1Cl
InChIInChI=1S/C6H9Cl/c1-2-3-5-4-6(5)7/h2-3,5-6H,4H2,1H3/b3-2+
InChIKeyYBJUIKHEAQKJEK-NSCUHMNNSA-N
MW116.59 g/mol
LogP2.19
Rot. Bonds1

About 1-chloro-2-[(E)-prop-1-enyl]cyclopropane

1-chloro-2-[(E)-prop-1-enyl]cyclopropane (PubChem CID 5367595) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-chloro-2-[(E)-prop-1-enyl]cyclopropane.

Molecular Properties

Compound Name1-chloro-2-[(E)-prop-1-enyl]cyclopropane
PubChem CID5367595
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-chloro-2-[(E)-prop-1-enyl]cyclopropane
SMILESC/C=C/C1CC1Cl
InChIInChI=1S/C6H9Cl/c1-2-3-5-4-6(5)7/h2-3,5-6H,4H2,1H3/b3-2+
InChIKeyYBJUIKHEAQKJEK-NSCUHMNNSA-N
XLogP2.19
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 ≤ 52.19
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-chloro-2-[(E)-prop-1-enyl]cyclopropane?
The IUPAC name of 1-chloro-2-[(E)-prop-1-enyl]cyclopropane (CID 5367595) is 1-chloro-2-[(E)-prop-1-enyl]cyclopropane.
What is the SMILES notation for 1-chloro-2-[(E)-prop-1-enyl]cyclopropane?
The canonical SMILES for 1-chloro-2-[(E)-prop-1-enyl]cyclopropane is C/C=C/C1CC1Cl.
What is the InChIKey of 1-chloro-2-[(E)-prop-1-enyl]cyclopropane?
The InChIKey is YBJUIKHEAQKJEK-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9Cl/c1-2-3-5-4-6(5)7/h2-3,5-6H,4H2,1H3/b3-2+.
What are the key properties of 1-chloro-2-[(E)-prop-1-enyl]cyclopropane?
1-chloro-2-[(E)-prop-1-enyl]cyclopropane has a molecular weight of 116.59 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-prop-1-enyl]cyclopropane is sourced from PubChem (CID 5367595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).