(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one

C20H19NO2 — CID 172635621

IUPAC(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESCCC(=O)N1c2ccccc2[C@@]2(Cc3ccccc3C2=O)[C@@H]1C
InChIInChI=1S/C20H19NO2/c1-3-18(22)21-13(2)20(16-10-6-7-11-17(16)21)12-14-8-4-5-9-15(14)19(20)23/h4-11,13H,3,12H2,1-2H3/t13-,20+/m0/s1
InChIKeyQQHRQBULYDSWMM-RNODOKPDSA-N
MW305.38 g/mol
LogP3.51
Rot. Bonds1

About (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one

(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one (PubChem CID 172635621) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one
PubChem CID172635621
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESCCC(=O)N1c2ccccc2[C@@]2(Cc3ccccc3C2=O)[C@@H]1C
InChIInChI=1S/C20H19NO2/c1-3-18(22)21-13(2)20(16-10-6-7-11-17(16)21)12-14-8-4-5-9-15(14)19(20)23/h4-11,13H,3,12H2,1-2H3/t13-,20+/m0/s1
InChIKeyQQHRQBULYDSWMM-RNODOKPDSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387422
(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387421
5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
CID 154865923
(2S)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704857
(2R)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704856
(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
CID 172635593
(3aR,8bR)-1-ethyl-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
CID 40573803
1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one
CID 164674379
1-propanoyl-2,4-dihydro-3,1-benzoxazine-2-carbaldehyde
CID 174583279
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one (CID 172635621) is (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one is CCC(=O)N1c2ccccc2[C@@]2(Cc3ccccc3C2=O)[C@@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The InChIKey is QQHRQBULYDSWMM-RNODOKPDSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-18(22)21-13(2)20(16-10-6-7-11-17(16)21)12-14-8-4-5-9-15(14)19(20)23/h4-11,13H,3,12H2,1-2H3/t13-,20+/m0/s1.
What are the key properties of (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one?
(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one has a molecular weight of 305.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).