8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H22N2O5 — CID 156876394

IUPAC8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)c1cc(C)cc2c(=O)cc(N3CCC4(CC3)CN(C)C(=O)O4)oc12
InChIInChI=1S/C20H22N2O5/c1-12-8-14(13(2)23)18-15(9-12)16(24)10-17(26-18)22-6-4-20(5-7-22)11-21(3)19(25)27-20/h8-10H,4-7,11H2,1-3H3
InChIKeyCTVNARYMJVVICJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.73
Rot. Bonds2

About 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 156876394) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID156876394
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)c1cc(C)cc2c(=O)cc(N3CCC4(CC3)CN(C)C(=O)O4)oc12
InChIInChI=1S/C20H22N2O5/c1-12-8-14(13(2)23)18-15(9-12)16(24)10-17(26-18)22-6-4-20(5-7-22)11-21(3)19(25)27-20/h8-10H,4-7,11H2,1-3H3
InChIKeyCTVNARYMJVVICJ-UHFFFAOYSA-N
XLogP2.73
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166035175
methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate
CID 166035063
8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
CID 156876307
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one
CID 175870289
2-(4-acetylpiperazin-1-yl)-8-(1-bromoethyl)-6-methylchromen-4-one
CID 166035100
8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one
CID 166035218
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
2-[2-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoic acid
CID 166772906
(5S)-3-methyl-2-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453746
4-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-1-methylpyrazole-3-carboxylic acid
CID 156876532

Frequently Asked Questions

What is the IUPAC name of 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 156876394) is 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(=O)c1cc(C)cc2c(=O)cc(N3CCC4(CC3)CN(C)C(=O)O4)oc12.
What is the InChIKey of 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CTVNARYMJVVICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12-8-14(13(2)23)18-15(9-12)16(24)10-17(26-18)22-6-4-20(5-7-22)11-21(3)19(25)27-20/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 370.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 156876394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).