(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one

C17H18N2O — CID 40932108

IUPAC(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(C)=C(C)[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-4-9-19-16(11(2)12(3)17(19)20)14-10-18-15-8-6-5-7-13(14)15/h4-8,10,16,18H,1,9H2,2-3H3/t16-/m0/s1
InChIKeyZRXQXSNQPFNOKW-INIZCTEOSA-N
MW266.34 g/mol
LogP3.57
Rot. Bonds3

About (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one

(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 40932108) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID40932108
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(C)=C(C)[C@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2O/c1-4-9-19-16(11(2)12(3)17(19)20)14-10-18-15-8-6-5-7-13(14)15/h4-8,10,16,18H,1,9H2,2-3H3/t16-/m0/s1
InChIKeyZRXQXSNQPFNOKW-INIZCTEOSA-N
XLogP3.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-2-(1H-indol-3-yl)-3,4-dimethyl-2H-pyrrol-5-one
CID 4266915
(2S)-1-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)-3,4-dimethyl-2H-pyrrol-5-one
CID 41168492
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
(4E)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-propylpyrrolidine-2,3-dione
CID 108646580
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
CID 40963917
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108695582
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108604390

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one (CID 40932108) is (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1C(=O)C(C)=C(C)[C@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is ZRXQXSNQPFNOKW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-9-19-16(11(2)12(3)17(19)20)14-10-18-15-8-6-5-7-13(14)15/h4-8,10,16,18H,1,9H2,2-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one?
(2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 266.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indol-3-yl)-3,4-dimethyl-1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 40932108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).