2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one

C15H19NO4 — CID 90650230

IUPAC2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCOC3(CCCC3)C2)o1
InChIInChI=1S/C15H19NO4/c1-11-8-12(17)9-13(20-11)14(18)16-6-7-19-15(10-16)4-2-3-5-15/h8-9H,2-7,10H2,1H3
InChIKeyGUGAXIVFTAOMNC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds1

About 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one

2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one (PubChem CID 90650230) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one
PubChem CID90650230
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCOC3(CCCC3)C2)o1
InChIInChI=1S/C15H19NO4/c1-11-8-12(17)9-13(20-11)14(18)16-6-7-19-15(10-16)4-2-3-5-15/h8-9H,2-7,10H2,1H3
InChIKeyGUGAXIVFTAOMNC-UHFFFAOYSA-N
XLogP1.73
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-4H-pyran-4-one
CID 56864911
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-6-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 72890788
2-[(3-ethyl-3-methylpiperidin-1-yl)carbonyl]-6-methyl-4H-pyran-4-one
CID 77078709
2-{[4-(isopropoxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77096700
2-[(4-isopropylpiperidin-1-yl)carbonyl]-6-methyl-4H-pyran-4-one
CID 90647765
N-ethyl-6-methyl-4-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 90650524
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyran-2-carboxamide
CID 97277691
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide
CID 97277692
2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one
CID 99926190
2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one
CID 99926191
N-ethyl-6-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-oxopyran-2-carboxamide
CID 100059143
N-ethyl-6-methyl-N-[[(2R)-oxan-2-yl]methyl]-4-oxopyran-2-carboxamide
CID 100059145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one?
The IUPAC name of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one (CID 90650230) is 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one.
What is the SMILES notation for 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one?
The canonical SMILES for 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCOC3(CCCC3)C2)o1.
What is the InChIKey of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one?
The InChIKey is GUGAXIVFTAOMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-8-12(17)9-13(20-11)14(18)16-6-7-19-15(10-16)4-2-3-5-15/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one?
2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one has a molecular weight of 277.32 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyran-4-one is sourced from PubChem (CID 90650230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).