5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C14H17NO3 — CID 91448943

IUPAC5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCC(C)(C)CO1)C(=O)N2
InChIInChI=1S/C14H17NO3/c1-9-4-5-11-10(6-9)14(12(16)15-11)17-7-13(2,3)8-18-14/h4-6H,7-8H2,1-3H3,(H,15,16)
InChIKeyADWBMQSMDDPKQH-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.17
Rot. Bonds

About 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 91448943) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID91448943
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCC(C)(C)CO1)C(=O)N2
InChIInChI=1S/C14H17NO3/c1-9-4-5-11-10(6-9)14(12(16)15-11)17-7-13(2,3)8-18-14/h4-6H,7-8H2,1-3H3,(H,15,16)
InChIKeyADWBMQSMDDPKQH-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915747
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one
CID 134949748
5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile
CID 163838439
3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
CID 115098560
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422
methyl 2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-carboxylate
CID 68658424
1',5-dimethylspiro[1H-indole-3,3'-piperidine]-2-one
CID 10220227
2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
CID 68654808
tert-butyl (3S)-3,5-dimethyl-2-oxo-1H-indole-3-carboxylate
CID 177465055

Frequently Asked Questions

What is the IUPAC name of 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 91448943) is 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is Cc1ccc2c(c1)C1(OCC(C)(C)CO1)C(=O)N2.
What is the InChIKey of 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is ADWBMQSMDDPKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-4-5-11-10(6-9)14(12(16)15-11)17-7-13(2,3)8-18-14/h4-6H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 247.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 91448943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).