3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane

C9H16 — CID 123276891

IUPAC3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
SMILESCCC1(C)CC2(C)CC12
InChIInChI=1S/C9H16/c1-4-8(2)6-9(3)5-7(8)9/h7H,4-6H2,1-3H3
InChIKeyZGOLOLFIQATBCT-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds1

About 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane

3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane (PubChem CID 123276891) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
PubChem CID123276891
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
SMILESCCC1(C)CC2(C)CC12
InChIInChI=1S/C9H16/c1-4-8(2)6-9(3)5-7(8)9/h7H,4-6H2,1-3H3
InChIKeyZGOLOLFIQATBCT-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol
CID 89090393
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
2-ethyl-2-methylcyclopropane-1-carbaldehyde
CID 54353190
N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62712630
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
CID 130186897
2-(2-ethyl-2-methylcyclopropyl)ethanol
CID 72514759
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane (CID 123276891) is 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane is CCC1(C)CC2(C)CC12.
What is the InChIKey of 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane?
The InChIKey is ZGOLOLFIQATBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-8(2)6-9(3)5-7(8)9/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane?
3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123276891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).