1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

C16H19NO4 — CID 3242876

IUPAC1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(C)CC(=O)CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-11(2)9-12(18)10-17-14-6-4-3-5-13(14)16(15(17)19)20-7-8-21-16/h3-6,11H,7-10H2,1-2H3
InChIKeyRBIWPMLEZLCIHR-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.85
Rot. Bonds4

About 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 3242876) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID3242876
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(C)CC(=O)CN1C(=O)C2(OCCO2)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-11(2)9-12(18)10-17-14-6-4-3-5-13(14)16(15(17)19)20-7-8-21-16/h3-6,11H,7-10H2,1-2H3
InChIKeyRBIWPMLEZLCIHR-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 567730
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
5'-Bromo-1'-(2-methylprop-2-enyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 691240
Spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 281156
6-Prop-2-ynylspiro[1,3-dioxolane-2,3'-indoline]-7-one
CID 699047
5'-fluorospiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 2856422
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'-Bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 4443473
5',7'-dimethylspiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 7013279

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 3242876) is 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is CC(C)CC(=O)CN1C(=O)C2(OCCO2)c2ccccc21.
What is the InChIKey of 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is RBIWPMLEZLCIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(2)9-12(18)10-17-14-6-4-3-5-13(14)16(15(17)19)20-7-8-21-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 289.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 3242876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).