1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane

C8H12 — CID 154715769

IUPAC1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane
SMILESC=CC1(/C=C/C)CC1
InChIInChI=1S/C8H12/c1-3-5-8(4-2)6-7-8/h3-5H,2,6-7H2,1H3/b5-3+
InChIKeyXBJRYABTBADREK-HWKANZROSA-N
MW108.18 g/mol
LogP2.53
Rot. Bonds2

About 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane

1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane (PubChem CID 154715769) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane.

Molecular Properties

Compound Name1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane
PubChem CID154715769
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane
SMILESC=CC1(/C=C/C)CC1
InChIInChI=1S/C8H12/c1-3-5-8(4-2)6-7-8/h3-5H,2,6-7H2,1H3/b5-3+
InChIKeyXBJRYABTBADREK-HWKANZROSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane?
The IUPAC name of 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane (CID 154715769) is 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane.
What is the SMILES notation for 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane?
The canonical SMILES for 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane is C=CC1(/C=C/C)CC1.
What is the InChIKey of 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane?
The InChIKey is XBJRYABTBADREK-HWKANZROSA-N. The full InChI is InChI=1S/C8H12/c1-3-5-8(4-2)6-7-8/h3-5H,2,6-7H2,1H3/b5-3+.
What are the key properties of 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane?
1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane has a molecular weight of 108.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-[(E)-prop-1-enyl]cyclopropane is sourced from PubChem (CID 154715769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).