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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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).