6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C19H17Cl2NO3 — CID 9177711

IUPAC6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CCc2ccccc2)c2c(ccc(Cl)c2Cl)C12OCCCO2
InChIInChI=1S/C19H17Cl2NO3/c20-15-8-7-14-17(16(15)21)22(10-9-13-5-2-1-3-6-13)18(23)19(14)24-11-4-12-25-19/h1-3,5-8H,4,9-12H2
InChIKeyOLRGTDDVSQZIJD-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.17
Rot. Bonds3

About 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9177711) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9177711
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CCc2ccccc2)c2c(ccc(Cl)c2Cl)C12OCCCO2
InChIInChI=1S/C19H17Cl2NO3/c20-15-8-7-14-17(16(15)21)22(10-9-13-5-2-1-3-6-13)18(23)19(14)24-11-4-12-25-19/h1-3,5-8H,4,9-12H2
InChIKeyOLRGTDDVSQZIJD-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-Chloro-4-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 4139750
1'-Allyl-7'-chlorospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 9150101
5'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9150077
1'-Benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178088
1'-Allyl-5'-chlorospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 2987990
5'-chloro-1'-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9177595
1'-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 3239182
1'-[(2-Chloro-6-fluorophenyl)methyl]-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-2'-one
CID 4348896
1'-(2-Phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 2985691
N-(3-chloro-2-methylphenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 4406338
N-(2-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
CID 5115287
N-(3-chlorophenyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)butanamide
CID 5115289

Frequently Asked Questions

What is the IUPAC name of 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9177711) is 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CCc2ccccc2)c2c(ccc(Cl)c2Cl)C12OCCCO2.
What is the InChIKey of 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is OLRGTDDVSQZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c20-15-8-7-14-17(16(15)21)22(10-9-13-5-2-1-3-6-13)18(23)19(14)24-11-4-12-25-19/h1-3,5-8H,4,9-12H2.
What are the key properties of 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 378.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6',7'-dichloro-1'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).