2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane

C11H19NO — CID 170374668

IUPAC2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCC1(CN2CC3(CCOC3)C2)CC1
InChIInChI=1S/C11H19NO/c1-10(2-3-10)6-12-7-11(8-12)4-5-13-9-11/h2-9H2,1H3
InChIKeyYAASSVOIDPUCFA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.51
Rot. Bonds2

About 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane

2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane (PubChem CID 170374668) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane
PubChem CID170374668
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCC1(CN2CC3(CCOC3)C2)CC1
InChIInChI=1S/C11H19NO/c1-10(2-3-10)6-12-7-11(8-12)4-5-13-9-11/h2-9H2,1H3
InChIKeyYAASSVOIDPUCFA-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane (CID 170374668) is 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane is CC1(CN2CC3(CCOC3)C2)CC1.
What is the InChIKey of 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is YAASSVOIDPUCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2-3-10)6-12-7-11(8-12)4-5-13-9-11/h2-9H2,1H3.
What are the key properties of 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 181.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopropyl)methyl]-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 170374668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).