3-ethyl-1-prop-2-enyl-3H-indol-2-one

C13H15NO — CID 15047278

IUPAC3-ethyl-1-prop-2-enyl-3H-indol-2-one
SMILESC=CCN1C(=O)C(CC)c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-9-14-12-8-6-5-7-11(12)10(4-2)13(14)15/h3,5-8,10H,1,4,9H2,2H3
InChIKeyJTPSTAFYLZRTCM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds3

About 3-ethyl-1-prop-2-enyl-3H-indol-2-one

3-ethyl-1-prop-2-enyl-3H-indol-2-one (PubChem CID 15047278) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethyl-1-prop-2-enyl-3H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-1-prop-2-enyl-3H-indol-2-one
PubChem CID15047278
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-ethyl-1-prop-2-enyl-3H-indol-2-one
SMILESC=CCN1C(=O)C(CC)c2ccccc21
InChIInChI=1S/C13H15NO/c1-3-9-14-12-8-6-5-7-11(12)10(4-2)13(14)15/h3,5-8,10H,1,4,9H2,2H3
InChIKeyJTPSTAFYLZRTCM-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
(3S)-2,4-dioxo-1-prop-2-enylquinoline-3-carboxylic acid
CID 835051
3-phenyl-1-prop-2-enylquinoline-2,4-dione
CID 117066362
(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367911
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
1-benzyl-3-butyl-3H-indol-2-one
CID 134908411
5-prop-2-enyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 75238889
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-prop-2-enyl-3H-indol-2-one?
The IUPAC name of 3-ethyl-1-prop-2-enyl-3H-indol-2-one (CID 15047278) is 3-ethyl-1-prop-2-enyl-3H-indol-2-one.
What is the SMILES notation for 3-ethyl-1-prop-2-enyl-3H-indol-2-one?
The canonical SMILES for 3-ethyl-1-prop-2-enyl-3H-indol-2-one is C=CCN1C(=O)C(CC)c2ccccc21.
What is the InChIKey of 3-ethyl-1-prop-2-enyl-3H-indol-2-one?
The InChIKey is JTPSTAFYLZRTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-9-14-12-8-6-5-7-11(12)10(4-2)13(14)15/h3,5-8,10H,1,4,9H2,2H3.
What are the key properties of 3-ethyl-1-prop-2-enyl-3H-indol-2-one?
3-ethyl-1-prop-2-enyl-3H-indol-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-prop-2-enyl-3H-indol-2-one is sourced from PubChem (CID 15047278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).