2-ethylbicyclo[2.2.1]heptane;methane

C10H20 — CID 169189353

IUPAC2-ethylbicyclo[2.2.1]heptane;methane
SMILESC.CCC1CC2CCC1C2
InChIInChI=1S/C9H16.CH4/c1-2-8-5-7-3-4-9(8)6-7;/h7-9H,2-6H2,1H3;1H4
InChIKeyWWUJTRDYTISMCT-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds1

About 2-ethylbicyclo[2.2.1]heptane;methane

2-ethylbicyclo[2.2.1]heptane;methane (PubChem CID 169189353) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 2-ethylbicyclo[2.2.1]heptane;methane.

Molecular Properties

Compound Name2-ethylbicyclo[2.2.1]heptane;methane
PubChem CID169189353
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name2-ethylbicyclo[2.2.1]heptane;methane
SMILESC.CCC1CC2CCC1C2
InChIInChI=1S/C9H16.CH4/c1-2-8-5-7-3-4-9(8)6-7;/h7-9H,2-6H2,1H3;1H4
InChIKeyWWUJTRDYTISMCT-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethylbicyclo[2.2.1]heptane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
2-bicyclo[2.2.1]heptanylmethylphosphane
CID 58351251
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
trans-(1R,2R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylcyclopropan-1-amine
CID 130978957
(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926

Frequently Asked Questions

What is the IUPAC name of 2-ethylbicyclo[2.2.1]heptane;methane?
The IUPAC name of 2-ethylbicyclo[2.2.1]heptane;methane (CID 169189353) is 2-ethylbicyclo[2.2.1]heptane;methane.
What is the SMILES notation for 2-ethylbicyclo[2.2.1]heptane;methane?
The canonical SMILES for 2-ethylbicyclo[2.2.1]heptane;methane is C.CCC1CC2CCC1C2.
What is the InChIKey of 2-ethylbicyclo[2.2.1]heptane;methane?
The InChIKey is WWUJTRDYTISMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.CH4/c1-2-8-5-7-3-4-9(8)6-7;/h7-9H,2-6H2,1H3;1H4.
What are the key properties of 2-ethylbicyclo[2.2.1]heptane;methane?
2-ethylbicyclo[2.2.1]heptane;methane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbicyclo[2.2.1]heptane;methane is sourced from PubChem (CID 169189353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).