(3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one

C18H16FNO — CID 11289016

IUPAC(3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(c2ccc(F)cc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H16FNO/c1-3-12-18(13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20(2)17(18)21/h3-11H,1,12H2,2H3/t18-/m1/s1
InChIKeySKYQXRUHEAUAMQ-GOSISDBHSA-N
MW281.33 g/mol
LogP3.66
Rot. Bonds3

About (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one

(3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one (PubChem CID 11289016) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
PubChem CID11289016
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1(c2ccc(F)cc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H16FNO/c1-3-12-18(13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20(2)17(18)21/h3-11H,1,12H2,2H3/t18-/m1/s1
InChIKeySKYQXRUHEAUAMQ-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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
The IUPAC name of (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one (CID 11289016) is (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one is C=CC[C@]1(c2ccc(F)cc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
The InChIKey is SKYQXRUHEAUAMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FNO/c1-3-12-18(13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20(2)17(18)21/h3-11H,1,12H2,2H3/t18-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one?
(3R)-3-(4-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 (3R)-3-(4-fluorophenyl)-1-methyl-3-prop-2-enylindol-2-one is sourced from PubChem (CID 11289016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).