2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one

C16H21NO4 — CID 118769633

IUPAC2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCC3(CCOCC3)C2)o1
InChIInChI=1S/C16H21NO4/c1-12-9-13(18)10-14(21-12)15(19)17-6-2-3-16(11-17)4-7-20-8-5-16/h9-10H,2-8,11H2,1H3
InChIKeyCEPXHBLLYSFUAW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds1

About 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one

2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one (PubChem CID 118769633) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one
PubChem CID118769633
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCC3(CCOCC3)C2)o1
InChIInChI=1S/C16H21NO4/c1-12-9-13(18)10-14(21-12)15(19)17-6-2-3-16(11-17)4-7-20-8-5-16/h9-10H,2-8,11H2,1H3
InChIKeyCEPXHBLLYSFUAW-UHFFFAOYSA-N
XLogP1.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 72881781
5-methoxy-2-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-4H-pyran-4-one
CID 56864911
2-{[(1S*,3R*)-1-ethoxy-3-hydroxy-7-azaspiro[3.5]non-7-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70744686
2-{[3-(hydroxymethyl)-3-propylpiperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 70754945
5-methoxy-2-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-4H-pyran-4-one
CID 72887461
2-(3-methoxypropyl)-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904297
2-[(3-ethyl-3-methylpiperidin-1-yl)carbonyl]-6-methyl-4H-pyran-4-one
CID 77078709
2-{[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77093367
2-{[4-(isopropoxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77096700
2-(3-Ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl)-5-methoxypyran-4-one
CID 77852225
2-methyl-6-(6-oxa-9-azaspiro[4.5]dec-9-ylcarbonyl)-4H-pyran-4-one
CID 90650230
N-ethyl-6-methyl-4-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 90650524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one?
The IUPAC name of 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one (CID 118769633) is 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one.
What is the SMILES notation for 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one?
The canonical SMILES for 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCCC3(CCOCC3)C2)o1.
What is the InChIKey of 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one?
The InChIKey is CEPXHBLLYSFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-9-13(18)10-14(21-12)15(19)17-6-2-3-16(11-17)4-7-20-8-5-16/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one?
2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one has a molecular weight of 291.35 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)pyran-4-one is sourced from PubChem (CID 118769633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).