6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one

C8H12N2O2 — CID 170380628

IUPAC6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
SMILESCC1=C(C)OC2(CNC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c1-5-6(2)12-8(3-9-4-8)7(11)10-5/h9H,3-4H2,1-2H3,(H,10,11)
InChIKeyQWOCVEKHDVUSAP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.27
Rot. Bonds

About 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one

6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one (PubChem CID 170380628) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one.

Molecular Properties

Compound Name6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
PubChem CID170380628
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
SMILESCC1=C(C)OC2(CNC2)C(=O)N1
InChIInChI=1S/C8H12N2O2/c1-5-6(2)12-8(3-9-4-8)7(11)10-5/h9H,3-4H2,1-2H3,(H,10,11)
InChIKeyQWOCVEKHDVUSAP-UHFFFAOYSA-N
XLogP-0.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-1-(6,7-dimethyl-9-oxo-5-oxa-2,8-diazaspiro[3.5]non-6-ene-2-carbonyl)cyclopropane-1-carboxamide
CID 170380631
2-acetyl-6-iodo-7-methyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one
CID 167003347
2-methylimino-1-oxa-3,8-diazaspiro[4.5]decan-4-one
CID 143147204
6,7-dimethyl-5-azaspiro[2.4]hept-6-en-4-one
CID 90382245
3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 58760782
6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one
CID 167003344
5-fluoro-6-(hydroxymethyl)spiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 169189675
3-methyl-3-(trifluoromethyl)azetidin-2-one
CID 10888110
(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
CID 165133735
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
CID 126983039
(1R,15R)-1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-17,20,23,26-tetrazabicyclo[13.6.6]heptacosane-16,22-dione
CID 102017093
1,15,18,18,24,24-hexamethyl-2,5,8,11,14-pentaoxa-17,20,23,26-tetrazabicyclo[13.6.6]heptacosane-16,22-dione
CID 10674386

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
The IUPAC name of 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one (CID 170380628) is 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one.
What is the SMILES notation for 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
The canonical SMILES for 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one is CC1=C(C)OC2(CNC2)C(=O)N1.
What is the InChIKey of 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
The InChIKey is QWOCVEKHDVUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6(2)12-8(3-9-4-8)7(11)10-5/h9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one?
6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one has a molecular weight of 168.20 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-oxa-2,8-diazaspiro[3.5]non-6-en-9-one is sourced from PubChem (CID 170380628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).