1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one

C18H25NO3 — CID 18889419

IUPAC1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCCCCCN1C(=O)C2(OCCCO2)c2cc(C)ccc21
InChIInChI=1S/C18H25NO3/c1-3-4-5-6-10-19-16-9-8-14(2)13-15(16)18(17(19)20)21-11-7-12-22-18/h8-9,13H,3-7,10-12H2,1-2H3
InChIKeyFUKPRXCSAZSLLQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.51
Rot. Bonds5

About 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 18889419) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID18889419
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCCCCCCN1C(=O)C2(OCCCO2)c2cc(C)ccc21
InChIInChI=1S/C18H25NO3/c1-3-4-5-6-10-19-16-9-8-14(2)13-15(16)18(17(19)20)21-11-7-12-22-18/h8-9,13H,3-7,10-12H2,1-2H3
InChIKeyFUKPRXCSAZSLLQ-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 583365
3-(2'-Oxospiro[[1,3]dioxolane-2,3'-indolin]-1'-yl)propanenitrile
CID 600599
1'-Allyl-5'-methylspiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 690354
4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 2921040
5,5-dimethylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 609514
6-Prop-2-ynylspiro[1,3-dioxolane-2,3'-indoline]-7-one
CID 699047
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
Ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
CID 1110230
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
5',7'-dimethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 7013279
1'-Allyl-7'-chlorospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 9150101

Frequently Asked Questions

What is the IUPAC name of 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 18889419) is 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one is CCCCCCN1C(=O)C2(OCCCO2)c2cc(C)ccc21.
What is the InChIKey of 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is FUKPRXCSAZSLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-4-5-6-10-19-16-9-8-14(2)13-15(16)18(17(19)20)21-11-7-12-22-18/h8-9,13H,3-7,10-12H2,1-2H3.
What are the key properties of 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 303.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).