4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one

C9H15NO3 — CID 130871125

IUPAC4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one
SMILESCC1C(=O)NCC12COCCOC2
InChIInChI=1S/C9H15NO3/c1-7-8(11)10-4-9(7)5-12-2-3-13-6-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyUMOBGZVREHDJTC-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.21
Rot. Bonds

About 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one

4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one (PubChem CID 130871125) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one
PubChem CID130871125
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one
SMILESCC1C(=O)NCC12COCCOC2
InChIInChI=1S/C9H15NO3/c1-7-8(11)10-4-9(7)5-12-2-3-13-6-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyUMOBGZVREHDJTC-UHFFFAOYSA-N
XLogP-0.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one 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 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one?
The IUPAC name of 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one (CID 130871125) is 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one.
What is the SMILES notation for 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one?
The canonical SMILES for 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one is CC1C(=O)NCC12COCCOC2.
What is the InChIKey of 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one?
The InChIKey is UMOBGZVREHDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-8(11)10-4-9(7)5-12-2-3-13-6-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one?
4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one has a molecular weight of 185.22 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one is sourced from PubChem (CID 130871125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).