1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane

C9H14 — CID 123542377

IUPAC1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
SMILESCCC1(C2C=C2)CC1C
InChIInChI=1S/C9H14/c1-3-9(6-7(9)2)8-4-5-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyQZBMUJQSTINMKS-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds2

About 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane

1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane (PubChem CID 123542377) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane.

Molecular Properties

Compound Name1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
PubChem CID123542377
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
SMILESCCC1(C2C=C2)CC1C
InChIInChI=1S/C9H14/c1-3-9(6-7(9)2)8-4-5-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyQZBMUJQSTINMKS-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane?
The IUPAC name of 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane (CID 123542377) is 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane.
What is the SMILES notation for 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane?
The canonical SMILES for 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane is CCC1(C2C=C2)CC1C.
What is the InChIKey of 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane?
The InChIKey is QZBMUJQSTINMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9(6-7(9)2)8-4-5-8/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane?
1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane is sourced from PubChem (CID 123542377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).