1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C18H14BrNO4 — CID 134140619

IUPAC1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C18H14BrNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2
InChIKeyLSGGZFOHUQKSGS-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.88
Rot. Bonds3

About 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 134140619) has the molecular formula C18H14BrNO4 and a molecular weight of 388.22 g/mol. Its IUPAC name is 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID134140619
Molecular FormulaC18H14BrNO4
Molecular Weight388.22 g/mol
Exact Mass387.01
IUPAC Name1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C18H14BrNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2
InChIKeyLSGGZFOHUQKSGS-UHFFFAOYSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-Bromo-1'-(2-methylprop-2-enyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 691240
5'-Bromo-1'-(2-chloroethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 818012
Ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
CID 1110230
2-(5'-bromo-2'-oxo-2',3'-dihydrospiro[1,3-dioxolane-2,3'-(1'H)-indol]-1'-yl)-N-hydroxyacetamide
CID 4330464
5'-Bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 4443473
11-Bromo-7-(methylethyl)spiro[1,3-dioxane-2,3'-indoline]-8-one
CID 9177572
1'-(2-Oxo-2-phenylethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 691242
1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 3245741
4-[4-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)butanoylamino]-N-hydroxybenzamide
CID 90465904
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybutanamide
CID 90467932
6-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxyhexanamide
CID 90467933
4-[[2-(5'-bromo-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467937

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 134140619) is 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is LSGGZFOHUQKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2.
What are the key properties of 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 388.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-bromophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 134140619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).