4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one

C9H15NO2 — CID 165478380

IUPAC4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one
SMILESCC1CNCC12COCCC2=O
InChIInChI=1S/C9H15NO2/c1-7-4-10-5-9(7)6-12-3-2-8(9)11/h7,10H,2-6H2,1H3
InChIKeyXFZPKKCBURHNTF-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.20
Rot. Bonds

About 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one

4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one (PubChem CID 165478380) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one
PubChem CID165478380
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one
SMILESCC1CNCC12COCCC2=O
InChIInChI=1S/C9H15NO2/c1-7-4-10-5-9(7)6-12-3-2-8(9)11/h7,10H,2-6H2,1H3
InChIKeyXFZPKKCBURHNTF-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-azaspiro[4.5]decan-6-one
CID 165478308
4-methyl-9-propan-2-yl-2-azaspiro[4.5]decan-6-one
CID 165470324
(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936612
(5S,7R)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936611
methyl formate;7-methyl-2-oxa-9-azaspiro[4.5]decan-6-one
CID 172612265
(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936602
4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one
CID 130871125
8-methylspiro[3.4]octan-3-one
CID 557011
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
9-methylspiro[3.5]nonan-3-one
CID 557033
3-cyclopropyl-4-oxooxane-3-carboxylic acid
CID 106470019
(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82406616

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one?
The IUPAC name of 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one (CID 165478380) is 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one.
What is the SMILES notation for 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one?
The canonical SMILES for 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one is CC1CNCC12COCCC2=O.
What is the InChIKey of 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one?
The InChIKey is XFZPKKCBURHNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-4-10-5-9(7)6-12-3-2-8(9)11/h7,10H,2-6H2,1H3.
What are the key properties of 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one?
4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one has a molecular weight of 169.22 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxa-2-azaspiro[4.5]decan-10-one is sourced from PubChem (CID 165478380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).