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

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Related Compounds

11-methyl-2-oxa-9-azaspiro[5.5]undecane-8,10-dione
CID 79317236
1,9-dimethyl-2-oxa-7-azaspiro[4.4]nonan-8-one
CID 130855792
4-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 55286568
(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82406616
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
CID 125180842
3,5,5-trimethylpiperidine-2,4-dione
CID 83815448
4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one
CID 165478380
(5S)-5-methyl-1,3-oxazepan-4-one
CID 89392804
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245
3,6-dimethyl-1,4-dioxane-2,5-dione;oxirane
CID 87489456
8,11-dioxa-1,4-diazaspiro[5.6]dodecan-5-one
CID 89003952

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).