3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one

C16H18N2O2 — CID 132603164

IUPAC3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one
SMILESCC1=Nc2ccccc2C1(C)C/C=C/N1CCOC1=O
InChIInChI=1S/C16H18N2O2/c1-12-16(2,13-6-3-4-7-14(13)17-12)8-5-9-18-10-11-20-15(18)19/h3-7,9H,8,10-11H2,1-2H3/b9-5+
InChIKeyGPGGTECVSYBQRR-WEVVVXLNSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds3

About 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 132603164) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID132603164
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one
SMILESCC1=Nc2ccccc2C1(C)C/C=C/N1CCOC1=O
InChIInChI=1S/C16H18N2O2/c1-12-16(2,13-6-3-4-7-14(13)17-12)8-5-9-18-10-11-20-15(18)19/h3-7,9H,8,10-11H2,1-2H3/b9-5+
InChIKeyGPGGTECVSYBQRR-WEVVVXLNSA-N
XLogP3.41
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 135026078
Oxazolo[3,4-a]pyridin-3-one, 1,5,6,7-tetrahydro-1,1-dimethyl-7,3'-spiro(7-trifluoromethyl-2-methyl-3H-indole)-
CID 622095
ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 102406839
Tert-butyl 2-methylspiro[indole-3,4'-piperidine]-1'-carboxylate
CID 132327585
ethyl (3aS,6E)-6-(chloromethylidene)-3a-methyl-1,2,4,5-tetrahydropyrrolo[2,3-d]carbazole-3-carboxylate
CID 164680790
ethyl N-[2-[(1E,4aR)-1-(chloromethylidene)-3,4-dihydro-2H-carbazol-4a-yl]ethyl]-N-methylcarbamate
CID 164680791
Tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 166444841
CID 58454762
CID 58454762
2-(2,3,3-Trimethylindol-1-ium-1-yl)ethyl formate
CID 58471153
Tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 59016189
2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate
CID 70083708
3-(2-Tert-butylphenyl)-1,3-oxazolidin-2-one
CID 141995228

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one (CID 132603164) is 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one is CC1=Nc2ccccc2C1(C)C/C=C/N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is GPGGTECVSYBQRR-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-16(2,13-6-3-4-7-14(13)17-12)8-5-9-18-10-11-20-15(18)19/h3-7,9H,8,10-11H2,1-2H3/b9-5+.
What are the key properties of 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 270.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 132603164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).