2,3-dimethylbicyclo[2.1.0]pentane

C7H12 — CID 91187762

IUPAC2,3-dimethylbicyclo[2.1.0]pentane
SMILESCC1C(C)C2CC12
InChIInChI=1S/C7H12/c1-4-5(2)7-3-6(4)7/h4-7H,3H2,1-2H3
InChIKeyYTYUHNCQGLAZKH-UHFFFAOYSA-N
MW96.17 g/mol
LogP1.91
Rot. Bonds

About 2,3-dimethylbicyclo[2.1.0]pentane

2,3-dimethylbicyclo[2.1.0]pentane (PubChem CID 91187762) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2,3-dimethylbicyclo[2.1.0]pentane
PubChem CID91187762
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name2,3-dimethylbicyclo[2.1.0]pentane
SMILESCC1C(C)C2CC12
InChIInChI=1S/C7H12/c1-4-5(2)7-3-6(4)7/h4-7H,3H2,1-2H3
InChIKeyYTYUHNCQGLAZKH-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
3,4,5-trimethylbicyclo[4.1.0]heptane-2-thiol
CID 142168890
2-methyl-3-(2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 91187285
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 90983654
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 122645180
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
CID 22949638
ethane;2,4,6-trimethylbicyclo[3.1.1]heptane
CID 143259868
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 2,3-dimethylbicyclo[2.1.0]pentane (CID 91187762) is 2,3-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2,3-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 2,3-dimethylbicyclo[2.1.0]pentane is CC1C(C)C2CC12.
What is the InChIKey of 2,3-dimethylbicyclo[2.1.0]pentane?
The InChIKey is YTYUHNCQGLAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-4-5(2)7-3-6(4)7/h4-7H,3H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[2.1.0]pentane?
2,3-dimethylbicyclo[2.1.0]pentane has a molecular weight of 96.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91187762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).