1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C18H15NO4 — CID 691242

IUPAC1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-16(13-6-2-1-3-7-13)12-19-15-9-5-4-8-14(15)18(17(19)21)22-10-11-23-18/h1-9H,10-12H2
InChIKeySLOMPYYQQPCHNF-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.12
Rot. Bonds3

About 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 691242) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID691242
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-16(13-6-2-1-3-7-13)12-19-15-9-5-4-8-14(15)18(17(19)21)22-10-11-23-18/h1-9H,10-12H2
InChIKeySLOMPYYQQPCHNF-UHFFFAOYSA-N
XLogP2.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
5'-Bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 4443473
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetamide
CID 1249916
1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 3245741
4-[[2-(5'-fluoro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467935
N-hydroxy-4-[[2-(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
CID 90468078
N-hydroxy-4-[[2-(5'-methyl-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]benzamide
CID 90468079

Frequently Asked Questions

What is the IUPAC name of 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 691242) is 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1.
What is the InChIKey of 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is SLOMPYYQQPCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-16(13-6-2-1-3-7-13)12-19-15-9-5-4-8-14(15)18(17(19)21)22-10-11-23-18/h1-9H,10-12H2.
What are the key properties of 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 309.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-phenacylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 691242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).