2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one

C20H23N3O3 — CID 158565667

IUPAC2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one
SMILESC=C1CCC2(CCN(C(=O)c3ccc4c(c3)N(C(C)=O)CC4)C2)C(=O)N1
InChIInChI=1S/C20H23N3O3/c1-13-5-7-20(19(26)21-13)8-10-22(12-20)18(25)16-4-3-15-6-9-23(14(2)24)17(15)11-16/h3-4,11H,1,5-10,12H2,2H3,(H,21,26)
InChIKeyOJHRVKSEVJRNDM-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.85
Rot. Bonds1

About 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one

2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 158565667) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one
PubChem CID158565667
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one
SMILESC=C1CCC2(CCN(C(=O)c3ccc4c(c3)N(C(C)=O)CC4)C2)C(=O)N1
InChIInChI=1S/C20H23N3O3/c1-13-5-7-20(19(26)21-13)8-10-22(12-20)18(25)16-4-3-15-6-9-23(14(2)24)17(15)11-16/h3-4,11H,1,5-10,12H2,2H3,(H,21,26)
InChIKeyOJHRVKSEVJRNDM-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one (CID 158565667) is 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one is C=C1CCC2(CCN(C(=O)c3ccc4c(c3)N(C(C)=O)CC4)C2)C(=O)N1.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OJHRVKSEVJRNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-5-7-20(19(26)21-13)8-10-22(12-20)18(25)16-4-3-15-6-9-23(14(2)24)17(15)11-16/h3-4,11H,1,5-10,12H2,2H3,(H,21,26).
What are the key properties of 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one?
2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 353.42 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindole-6-carbonyl)-8-methylidene-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 158565667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).