3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one

C15H14N2O3 — CID 16681535

IUPAC3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one
SMILESC=CCn1c(C(=O)N2CCOC2=O)cc2ccccc21
InChIInChI=1S/C15H14N2O3/c1-2-7-16-12-6-4-3-5-11(12)10-13(16)14(18)17-8-9-20-15(17)19/h2-6,10H,1,7-9H2
InChIKeyIKKCTCZHBMWFSD-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.42
Rot. Bonds3

About 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one

3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 16681535) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one
PubChem CID16681535
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one
SMILESC=CCn1c(C(=O)N2CCOC2=O)cc2ccccc21
InChIInChI=1S/C15H14N2O3/c1-2-7-16-12-6-4-3-5-11(12)10-13(16)14(18)17-8-9-20-15(17)19/h2-6,10H,1,7-9H2
InChIKeyIKKCTCZHBMWFSD-UHFFFAOYSA-N
XLogP2.42
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide
CID 86225735
5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
CID 83968505
(E)-4-(1-prop-2-enylindol-2-yl)but-3-en-2-one
CID 23028021
3-(2-oxochromene-3-carbonyl)-1,3-oxazolidin-2-one
CID 102136563
1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 46375698
3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 78210230
3-non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555
S-[(E)-5-phenylsulfanylpent-4-enyl] 1-prop-2-enylindole-2-carbothioate
CID 101242711
(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76867455
3-[4,4,4-trifluoro-3-(1-prop-2-enylpyrrol-2-yl)butanoyl]-1,3-oxazolidin-2-one
CID 45140682
3-[(E)-1-naphthalen-1-yl-1-oxobut-2-en-2-yl]-1,3-oxazolidin-2-one
CID 177441765

Frequently Asked Questions

What is the IUPAC name of 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one (CID 16681535) is 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one is C=CCn1c(C(=O)N2CCOC2=O)cc2ccccc21.
What is the InChIKey of 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is IKKCTCZHBMWFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-7-16-12-6-4-3-5-11(12)10-13(16)14(18)17-8-9-20-15(17)19/h2-6,10H,1,7-9H2.
What are the key properties of 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one?
3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enylindole-2-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 16681535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).