5-methyl-5-azabicyclo[2.1.0]pentane

C5H9N — CID 102031260

IUPAC5-methyl-5-azabicyclo[2.1.0]pentane
SMILESCN1C2CCC21
InChIInChI=1S/C5H9N/c1-6-4-2-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyROBQKMKHRZINIJ-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.46
Rot. Bonds

About 5-methyl-5-azabicyclo[2.1.0]pentane

5-methyl-5-azabicyclo[2.1.0]pentane (PubChem CID 102031260) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 5-methyl-5-azabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-methyl-5-azabicyclo[2.1.0]pentane
PubChem CID102031260
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name5-methyl-5-azabicyclo[2.1.0]pentane
SMILESCN1C2CCC21
InChIInChI=1S/C5H9N/c1-6-4-2-3-5(4)6/h4-5H,2-3H2,1H3
InChIKeyROBQKMKHRZINIJ-UHFFFAOYSA-N
XLogP0.46
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 59550543
ethane;8-methyl-8-azabicyclo[5.1.0]octane
CID 90889945
9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
CID 121459120
(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane
CID 131119150
(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 131034211
9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 67709044
ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
CID 91279361
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
1-(2-methyl-2-azabicyclo[4.2.0]octan-3-yl)ethanone
CID 58849808
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-azabicyclo[2.1.0]pentane?
The IUPAC name of 5-methyl-5-azabicyclo[2.1.0]pentane (CID 102031260) is 5-methyl-5-azabicyclo[2.1.0]pentane.
What is the SMILES notation for 5-methyl-5-azabicyclo[2.1.0]pentane?
The canonical SMILES for 5-methyl-5-azabicyclo[2.1.0]pentane is CN1C2CCC21.
What is the InChIKey of 5-methyl-5-azabicyclo[2.1.0]pentane?
The InChIKey is ROBQKMKHRZINIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-6-4-2-3-5(4)6/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-5-azabicyclo[2.1.0]pentane?
5-methyl-5-azabicyclo[2.1.0]pentane has a molecular weight of 83.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-azabicyclo[2.1.0]pentane is sourced from PubChem (CID 102031260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).