2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one

C10H17NO2 — CID 156547568

IUPAC2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one
SMILESCC1C(C)C2(CCOC2)C(=O)N1C
InChIInChI=1S/C10H17NO2/c1-7-8(2)11(3)9(12)10(7)4-5-13-6-10/h7-8H,4-6H2,1-3H3
InChIKeyUDSGSAQJOPHZAU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.89
Rot. Bonds

About 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one

2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one (PubChem CID 156547568) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one
PubChem CID156547568
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one
SMILESCC1C(C)C2(CCOC2)C(=O)N1C
InChIInChI=1S/C10H17NO2/c1-7-8(2)11(3)9(12)10(7)4-5-13-6-10/h7-8H,4-6H2,1-3H3
InChIKeyUDSGSAQJOPHZAU-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-1,3,3,4,5-pentamethylpyrrolidin-2-one
CID 59868897
2-methylsulfanyl-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 22892987
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
4-amino-1-methyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79960902
1-propyl-7-oxa-1-azaspiro[4.4]nonan-4-one
CID 165461992
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
7-oxa-1-azaspiro[4.4]nonan-3-one
CID 115011406
6-methyl-2-oxa-6-azaspiro[4.5]decan-9-one
CID 131616804
2-[(3-hydroxyoxolan-3-yl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 106103059
1,2-dimethyl-6-oxaspiro[2.5]octane
CID 58482279
(6S)-3-methylspiro[7-oxa-3-azabicyclo[4.1.0]heptane-5,1'-cyclopropane]-4-one
CID 163915753

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one?
The IUPAC name of 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one (CID 156547568) is 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one?
The canonical SMILES for 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one is CC1C(C)C2(CCOC2)C(=O)N1C.
What is the InChIKey of 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one?
The InChIKey is UDSGSAQJOPHZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-8(2)11(3)9(12)10(7)4-5-13-6-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one?
2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-7-oxa-2-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 156547568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).