1-ethenyl-2-methyl-3-prop-2-enylcyclopropane

C9H14 — CID 123762497

IUPAC1-ethenyl-2-methyl-3-prop-2-enylcyclopropane
SMILESC=CCC1C(C)C1C=C
InChIInChI=1S/C9H14/c1-4-6-9-7(3)8(9)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyMMZMSXKRDNOMFU-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.63
Rot. Bonds3

About 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane

1-ethenyl-2-methyl-3-prop-2-enylcyclopropane (PubChem CID 123762497) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane.

Molecular Properties

Compound Name1-ethenyl-2-methyl-3-prop-2-enylcyclopropane
PubChem CID123762497
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethenyl-2-methyl-3-prop-2-enylcyclopropane
SMILESC=CCC1C(C)C1C=C
InChIInChI=1S/C9H14/c1-4-6-9-7(3)8(9)5-2/h4-5,7-9H,1-2,6H2,3H3
InChIKeyMMZMSXKRDNOMFU-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.63
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-2-methyl-3-prop-2-enylcyclopropane?
The IUPAC name of 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane (CID 123762497) is 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane.
What is the SMILES notation for 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane?
The canonical SMILES for 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane is C=CCC1C(C)C1C=C.
What is the InChIKey of 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane?
The InChIKey is MMZMSXKRDNOMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-9-7(3)8(9)5-2/h4-5,7-9H,1-2,6H2,3H3.
What are the key properties of 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane?
1-ethenyl-2-methyl-3-prop-2-enylcyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-3-prop-2-enylcyclopropane is sourced from PubChem (CID 123762497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).