(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H23N3O4 — CID 95707112

IUPAC(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]c2c(c1C(=O)N1CCC[C@]3(CN(C)C(=O)O3)C1)C(=O)CCC2
InChIInChI=1S/C18H23N3O4/c1-11-14(15-12(19-11)5-3-6-13(15)22)16(23)21-8-4-7-18(10-21)9-20(2)17(24)25-18/h19H,3-10H2,1-2H3/t18-/m0/s1
InChIKeyYUVGBDZITMWPIJ-SFHVURJKSA-N
MW345.40 g/mol
LogP1.90
Rot. Bonds1

About (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95707112) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95707112
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1[nH]c2c(c1C(=O)N1CCC[C@]3(CN(C)C(=O)O3)C1)C(=O)CCC2
InChIInChI=1S/C18H23N3O4/c1-11-14(15-12(19-11)5-3-6-13(15)22)16(23)21-8-4-7-18(10-21)9-20(2)17(24)25-18/h19H,3-10H2,1-2H3/t18-/m0/s1
InChIKeyYUVGBDZITMWPIJ-SFHVURJKSA-N
XLogP1.90
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decane-4-carbonyl]-2-methyl-1,5,6,7-tetrahydroindol-4-one
CID 56874518
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
(5S)-9-(5-methoxy-3-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95711524
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99981305
6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 77094615
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728756
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95707112) is (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1[nH]c2c(c1C(=O)N1CCC[C@]3(CN(C)C(=O)O3)C1)C(=O)CCC2.
What is the InChIKey of (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YUVGBDZITMWPIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-14(15-12(19-11)5-3-6-13(15)22)16(23)21-8-4-7-18(10-21)9-20(2)17(24)25-18/h19H,3-10H2,1-2H3/t18-/m0/s1.
What are the key properties of (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 345.40 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95707112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).