1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one

C20H20N4O3 — CID 146039915

IUPAC1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one
SMILESCC(C(=O)N1CC2(CNC(=O)N2C)C1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H20N4O3/c1-12(17(25)23-10-20(11-23)9-21-19(27)22(20)2)24-15-8-4-6-13-5-3-7-14(16(13)15)18(24)26/h3-8,12H,9-11H2,1-2H3,(H,21,27)
InChIKeyWWVNTMCNOSWURL-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.42
Rot. Bonds2

About 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one

1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one (PubChem CID 146039915) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one
PubChem CID146039915
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one
SMILESCC(C(=O)N1CC2(CNC(=O)N2C)C1)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H20N4O3/c1-12(17(25)23-10-20(11-23)9-21-19(27)22(20)2)24-15-8-4-6-13-5-3-7-14(16(13)15)18(24)26/h3-8,12H,9-11H2,1-2H3,(H,21,27)
InChIKeyWWVNTMCNOSWURL-UHFFFAOYSA-N
XLogP1.42
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one with MolForge

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Related Compounds

1-[(2S)-1-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one
CID 171359567
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 7473479
8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 124849627
1-[(2R)-1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxopropan-2-yl]benzo[cd]indol-2-one
CID 125166545
4-[2-(2-oxobenzo[cd]indol-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 91829971
(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2227717
(2R)-N-(4-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2237349
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
1-butan-2-ylbenzo[cd]indol-2-one
CID 155006053
N-methyl-2-(2-oxobenzo[cd]indol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 50960947
N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 4565306
(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2238586

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one?
The IUPAC name of 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one (CID 146039915) is 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one is CC(C(=O)N1CC2(CNC(=O)N2C)C1)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one?
The InChIKey is WWVNTMCNOSWURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12(17(25)23-10-20(11-23)9-21-19(27)22(20)2)24-15-8-4-6-13-5-3-7-14(16(13)15)18(24)26/h3-8,12H,9-11H2,1-2H3,(H,21,27).
What are the key properties of 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one?
1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]benzo[cd]indol-2-one is sourced from PubChem (CID 146039915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).