(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one

C16H17NO3 — CID 102110139

IUPAC(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
SMILESCC(=O)C1=C(C)OC[C@@]2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C16H17NO3/c1-10(18)12-8-16(9-20-11(12)2)13-6-4-5-7-14(13)17(3)15(16)19/h4-7H,8-9H2,1-3H3/t16-/m1/s1
InChIKeyZPKUQAQVOUVFSG-MRXNPFEDSA-N
MW271.32 g/mol
LogP2.18
Rot. Bonds1

About (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one

(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one (PubChem CID 102110139) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
PubChem CID102110139
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
SMILESCC(=O)C1=C(C)OC[C@@]2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C16H17NO3/c1-10(18)12-8-16(9-20-11(12)2)13-6-4-5-7-14(13)17(3)15(16)19/h4-7H,8-9H2,1-3H3/t16-/m1/s1
InChIKeyZPKUQAQVOUVFSG-MRXNPFEDSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione
CID 102110136
1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
CID 102292524
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
CID 164582213
CID 164582213
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
CID 59909654
CID 59909654
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
CID 12024416
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040

Frequently Asked Questions

What is the IUPAC name of (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one?
The IUPAC name of (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one (CID 102110139) is (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one.
What is the SMILES notation for (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one?
The canonical SMILES for (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one is CC(=O)C1=C(C)OC[C@@]2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one?
The InChIKey is ZPKUQAQVOUVFSG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(18)12-8-16(9-20-11(12)2)13-6-4-5-7-14(13)17(3)15(16)19/h4-7H,8-9H2,1-3H3/t16-/m1/s1.
What are the key properties of (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one?
(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one has a molecular weight of 271.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one is sourced from PubChem (CID 102110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).