8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C21H20N2O5 — CID 124849627

IUPAC8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC[C@H](C(=O)N1CCC2(CC1)COC(=O)O2)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C21H20N2O5/c1-13(18(24)22-10-8-21(9-11-22)12-27-20(26)28-21)23-16-7-3-5-14-4-2-6-15(17(14)16)19(23)25/h2-7,13H,8-12H2,1H3/t13-/m1/s1
InChIKeyPDIRKLFLIZTDFR-CYBMUJFWSA-N
MW380.40 g/mol
LogP2.72
Rot. Bonds2

About 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 124849627) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID124849627
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESC[C@H](C(=O)N1CCC2(CC1)COC(=O)O2)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C21H20N2O5/c1-13(18(24)22-10-8-21(9-11-22)12-27-20(26)28-21)23-16-7-3-5-14-4-2-6-15(17(14)16)19(23)25/h2-7,13H,8-12H2,1H3/t13-/m1/s1
InChIKeyPDIRKLFLIZTDFR-CYBMUJFWSA-N
XLogP2.72
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
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
8-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 126432825
8-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118772035
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
8-(2-pyrazol-1-ylbutanoyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 72848540
(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2227717
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 124849627) is 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is C[C@H](C(=O)N1CCC2(CC1)COC(=O)O2)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is PDIRKLFLIZTDFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13(18(24)22-10-8-21(9-11-22)12-27-20(26)28-21)23-16-7-3-5-14-4-2-6-15(17(14)16)19(23)25/h2-7,13H,8-12H2,1H3/t13-/m1/s1.
What are the key properties of 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 380.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 124849627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).