1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone

C10H17NO2 — CID 71628992

IUPAC1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCC(=O)N1CCC2(CC(CO)C2)C1
InChIInChI=1S/C10H17NO2/c1-8(13)11-3-2-10(7-11)4-9(5-10)6-12/h9,12H,2-7H2,1H3
InChIKeyVDHGROICEACLFC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.63
Rot. Bonds1

About 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone

1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 71628992) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID71628992
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCC(=O)N1CCC2(CC(CO)C2)C1
InChIInChI=1S/C10H17NO2/c1-8(13)11-3-2-10(7-11)4-9(5-10)6-12/h9,12H,2-7H2,1H3
InChIKeyVDHGROICEACLFC-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone 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 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (CID 71628992) is 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is CC(=O)N1CCC2(CC(CO)C2)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is VDHGROICEACLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(13)11-3-2-10(7-11)4-9(5-10)6-12/h9,12H,2-7H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 71628992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).