4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C14H18N2O4 — CID 138015911

IUPAC4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cocc1C(=O)N1CCC2(CC1)OCC(=O)N2C
InChIInChI=1S/C14H18N2O4/c1-10-7-19-8-11(10)13(18)16-5-3-14(4-6-16)15(2)12(17)9-20-14/h7-8H,3-6,9H2,1-2H3
InChIKeyXOXBCAWZOJTMOL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.01
Rot. Bonds1

About 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one

4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 138015911) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID138015911
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1cocc1C(=O)N1CCC2(CC1)OCC(=O)N2C
InChIInChI=1S/C14H18N2O4/c1-10-7-19-8-11(10)13(18)16-5-3-14(4-6-16)15(2)12(17)9-20-14/h7-8H,3-6,9H2,1-2H3
InChIKeyXOXBCAWZOJTMOL-UHFFFAOYSA-N
XLogP1.01
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 115696691
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985953
(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207241
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379
[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 7295643
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one
CID 110699298
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 138015911) is 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is Cc1cocc1C(=O)N1CCC2(CC1)OCC(=O)N2C.
What is the InChIKey of 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XOXBCAWZOJTMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-7-19-8-11(10)13(18)16-5-3-14(4-6-16)15(2)12(17)9-20-14/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 278.31 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(4-methylfuran-3-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 138015911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).