(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one

C18H16FNO — CID 46217162

IUPAC(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(c2ccccc2F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H16FNO/c1-3-12-18(13-8-4-6-10-15(13)19)14-9-5-7-11-16(14)20(2)17(18)21/h3-11H,1,12H2,2H3/t18-/m1/s1
InChIKeyHSMPNHQUVFMMPM-GOSISDBHSA-N
MW281.33 g/mol
LogP3.66
Rot. Bonds3

About (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one

(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one (PubChem CID 46217162) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
PubChem CID46217162
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(c2ccccc2F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H16FNO/c1-3-12-18(13-8-4-6-10-15(13)19)14-9-5-7-11-16(14)20(2)17(18)21/h3-11H,1,12H2,2H3/t18-/m1/s1
InChIKeyHSMPNHQUVFMMPM-GOSISDBHSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
The IUPAC name of (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one (CID 46217162) is (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one is C=CC[C@]1(c2ccccc2F)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
The InChIKey is HSMPNHQUVFMMPM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FNO/c1-3-12-18(13-8-4-6-10-15(13)19)14-9-5-7-11-16(14)20(2)17(18)21/h3-11H,1,12H2,2H3/t18-/m1/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
(3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one has a molecular weight of 281.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one is sourced from PubChem (CID 46217162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).