5-methyl-1-azaspiro[2.2]pentane

C5H9N — CID 123174806

IUPAC5-methyl-1-azaspiro[2.2]pentane
SMILESCC1CC12CN2
InChIInChI=1S/C5H9N/c1-4-2-5(4)3-6-5/h4,6H,2-3H2,1H3
InChIKeyVOSFDNFRYQPNRO-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.37
Rot. Bonds

About 5-methyl-1-azaspiro[2.2]pentane

5-methyl-1-azaspiro[2.2]pentane (PubChem CID 123174806) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 5-methyl-1-azaspiro[2.2]pentane.

Molecular Properties

Compound Name5-methyl-1-azaspiro[2.2]pentane
PubChem CID123174806
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name5-methyl-1-azaspiro[2.2]pentane
SMILESCC1CC12CN2
InChIInChI=1S/C5H9N/c1-4-2-5(4)3-6-5/h4,6H,2-3H2,1H3
InChIKeyVOSFDNFRYQPNRO-UHFFFAOYSA-N
XLogP0.37
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-azaspiro[2.2]pentane?
The IUPAC name of 5-methyl-1-azaspiro[2.2]pentane (CID 123174806) is 5-methyl-1-azaspiro[2.2]pentane.
What is the SMILES notation for 5-methyl-1-azaspiro[2.2]pentane?
The canonical SMILES for 5-methyl-1-azaspiro[2.2]pentane is CC1CC12CN2.
What is the InChIKey of 5-methyl-1-azaspiro[2.2]pentane?
The InChIKey is VOSFDNFRYQPNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-4-2-5(4)3-6-5/h4,6H,2-3H2,1H3.
What are the key properties of 5-methyl-1-azaspiro[2.2]pentane?
5-methyl-1-azaspiro[2.2]pentane has a molecular weight of 83.13 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-azaspiro[2.2]pentane is sourced from PubChem (CID 123174806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).