1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane

C12H16 — CID 101177777

IUPAC1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane
SMILESC=CCC1(/C=C/C=C2CC2)CC1
InChIInChI=1S/C12H16/c1-2-7-12(9-10-12)8-3-4-11-5-6-11/h2-4,8H,1,5-7,9-10H2/b8-3+
InChIKeyPPVLBRQAXYPOCQ-FPYGCLRLSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds4

About 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane

1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane (PubChem CID 101177777) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane.

Molecular Properties

Compound Name1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane
PubChem CID101177777
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane
SMILESC=CCC1(/C=C/C=C2CC2)CC1
InChIInChI=1S/C12H16/c1-2-7-12(9-10-12)8-3-4-11-5-6-11/h2-4,8H,1,5-7,9-10H2/b8-3+
InChIKeyPPVLBRQAXYPOCQ-FPYGCLRLSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Spiro(2.5)octa-4,6-diene
CID 143011
7-Methylidenespiro[2.4]hept-5-ene
CID 11105326
2,7-Dicyclopropylocta-2,4,6-triene
CID 12823800
6-Methylidene-3,3-bis(prop-2-enyl)cyclohexa-1,4-diene
CID 101716680
CID 102417295
CID 102417295
8-Methylenespiro[2.5]octa-4,6-diene
CID 129670368
2,5-Dicyclopropylcyclohepta-1,3,5-triene
CID 134897785
2,4-Dicyclopropylcyclohepta-1,3,5-triene
CID 134897847
(8Z,10Z,12Z)-dispiro[2.1.25.63]trideca-8,10,12-triene
CID 139245199
4-Methylspiro(2.4)hepta-4,6-diene
CID 144247
1-[(1E,3E)-hexa-1,3,5-trienyl]-1-prop-2-enylcyclopropane
CID 101177780
1-Methyl-2-(1-methylcyclopropyl)benzene-5-ide
CID 59016185

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane?
The IUPAC name of 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane (CID 101177777) is 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane.
What is the SMILES notation for 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane?
The canonical SMILES for 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane is C=CCC1(/C=C/C=C2CC2)CC1.
What is the InChIKey of 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane?
The InChIKey is PPVLBRQAXYPOCQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H16/c1-2-7-12(9-10-12)8-3-4-11-5-6-11/h2-4,8H,1,5-7,9-10H2/b8-3+.
What are the key properties of 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane?
1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane has a molecular weight of 160.26 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclopropylideneprop-1-enyl]-1-prop-2-enylcyclopropane is sourced from PubChem (CID 101177777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).