1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane

C13H22 — CID 123146097

IUPAC1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
SMILESCCC12CC1C(C1(CC)CC1C)C2
InChIInChI=1S/C13H22/c1-4-12-7-10(12)11(8-12)13(5-2)6-9(13)3/h9-11H,4-8H2,1-3H3
InChIKeyLJIYSEBWAPASDN-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds3

About 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane

1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane (PubChem CID 123146097) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
PubChem CID123146097
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane
SMILESCCC12CC1C(C1(CC)CC1C)C2
InChIInChI=1S/C13H22/c1-4-12-7-10(12)11(8-12)13(5-2)6-9(13)3/h9-11H,4-8H2,1-3H3
InChIKeyLJIYSEBWAPASDN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-1-ethyl-2-methylcyclopropane
CID 22389706
1-cycloprop-2-en-1-yl-1-ethyl-2-methylcyclopropane
CID 123542377
4-ethyl-7,7-dimethyltricyclo[4.1.1.02,4]octane
CID 20778718
1-ethyltricyclo[2.2.1.02,6]heptane
CID 12951260
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane
CID 90876004
1-ethyl-4-methyltricyclo[3.1.1.12,4]octane
CID 163490022
2-ethyl-1,1,2-trifluoro-3-methylcyclobutane
CID 162585247
1-ethyl-3-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123608958
1-ethyl-2,4-dimethyladamantane
CID 90877999
1-(1-ethylcyclopentyl)-2-methylcyclohexane
CID 173420432

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane?
The IUPAC name of 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane (CID 123146097) is 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane.
What is the SMILES notation for 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane?
The canonical SMILES for 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane is CCC12CC1C(C1(CC)CC1C)C2.
What is the InChIKey of 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane?
The InChIKey is LJIYSEBWAPASDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-12-7-10(12)11(8-12)13(5-2)6-9(13)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane?
1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane has a molecular weight of 178.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-ethyl-2-methylcyclopropyl)bicyclo[2.1.0]pentane is sourced from PubChem (CID 123146097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).