3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one

C13H15NO2 — CID 132572568

IUPAC3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CCC1(CO)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-3-8-13(9-15)10-6-4-5-7-11(10)14(2)12(13)16/h3-7,15H,1,8-9H2,2H3
InChIKeyJMVBMPQAVLVWED-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.47
Rot. Bonds3

About 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one

3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one (PubChem CID 132572568) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
PubChem CID132572568
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CCC1(CO)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-3-8-13(9-15)10-6-4-5-7-11(10)14(2)12(13)16/h3-7,15H,1,8-9H2,2H3
InChIKeyJMVBMPQAVLVWED-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
CID 11402284
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
(3S)-3-(2-hydroxy-5-methylphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139191748
(3R)-1-methyl-3-prop-2-enyl-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 139193545
3-(5-tert-butyl-2-hydroxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139255179
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol
CID 125463645
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 56877849

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one?
The IUPAC name of 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one (CID 132572568) is 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one is C=CCC1(CO)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one?
The InChIKey is JMVBMPQAVLVWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-8-13(9-15)10-6-4-5-7-11(10)14(2)12(13)16/h3-7,15H,1,8-9H2,2H3.
What are the key properties of 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one?
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one is sourced from PubChem (CID 132572568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).