1,3-dimethylbicyclo[2.1.0]pentane

C7H12 — CID 91176619

IUPAC1,3-dimethylbicyclo[2.1.0]pentane
SMILESCC1CC2(C)CC12
InChIInChI=1S/C7H12/c1-5-3-7(2)4-6(5)7/h5-6H,3-4H2,1-2H3
InChIKeyRFZNBPMLLJGPPD-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds

About 1,3-dimethylbicyclo[2.1.0]pentane

1,3-dimethylbicyclo[2.1.0]pentane (PubChem CID 91176619) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,3-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1,3-dimethylbicyclo[2.1.0]pentane
PubChem CID91176619
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,3-dimethylbicyclo[2.1.0]pentane
SMILESCC1CC2(C)CC12
InChIInChI=1S/C7H12/c1-5-3-7(2)4-6(5)7/h5-6H,3-4H2,1-2H3
InChIKeyRFZNBPMLLJGPPD-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,5R,6R)-1,6-dimethyl-3-azabicyclo[3.2.0]heptane
CID 143715084
3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane
CID 123466249
4,6-dimethylbicyclo[4.1.0]heptan-2-ol
CID 130126006
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,5,7-trimethyltricyclo[4.2.1.03,9]nonane
CID 123325101
1,5,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
CID 89021501
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane
CID 71411322
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
(1S,2R,4R)-4-amino-2,4-dimethylcyclopentan-1-ol
CID 99995754
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 1,3-dimethylbicyclo[2.1.0]pentane (CID 91176619) is 1,3-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 1,3-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 1,3-dimethylbicyclo[2.1.0]pentane is CC1CC2(C)CC12.
What is the InChIKey of 1,3-dimethylbicyclo[2.1.0]pentane?
The InChIKey is RFZNBPMLLJGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-5-3-7(2)4-6(5)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylbicyclo[2.1.0]pentane?
1,3-dimethylbicyclo[2.1.0]pentane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91176619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).