7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C16H20ClNO3 — CID 9177618

IUPAC7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)CCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21
InChIInChI=1S/C16H20ClNO3/c1-11(2)7-8-18-14-12(5-3-6-13(14)17)16(15(18)19)20-9-4-10-21-16/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyRSAOOJCUNUZVPM-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.32
Rot. Bonds3

About 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9177618) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9177618
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCC(C)CCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21
InChIInChI=1S/C16H20ClNO3/c1-11(2)7-8-18-14-12(5-3-6-13(14)17)16(15(18)19)20-9-4-10-21-16/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeyRSAOOJCUNUZVPM-UHFFFAOYSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.32
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-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
1'-Allyl-7'-chlorospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 9150101
1'-(2-(3-Chlorophenyl)-2-oxoethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 134139065
5'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9150077
1'-allyl-5'-butylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9177725
1'-Benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178088
5'-chloro-1'-propyl-1',3'-dihydrospiro[1,3-dioxolane-2,3'-(2'H)-indole]-2'-one
CID 1229599
1'-Allyl-5'-chlorospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 2987990
1'-Allylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 2991603
5'-chloro-1'-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9177595

Frequently Asked Questions

What is the IUPAC name of 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9177618) is 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is CC(C)CCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21.
What is the InChIKey of 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is RSAOOJCUNUZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11(2)7-8-18-14-12(5-3-6-13(14)17)16(15(18)19)20-9-4-10-21-16/h3,5-6,11H,4,7-10H2,1-2H3.
What are the key properties of 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 309.79 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).