1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone

C12H16N2O2 — CID 121204163

IUPAC1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2c(CO)cccc21
InChIInChI=1S/C12H16N2O2/c1-13-7-12(16)14-6-5-10-9(8-15)3-2-4-11(10)14/h2-4,13,15H,5-8H2,1H3
InChIKeyGYJBQTMHYRNQJU-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.29
Rot. Bonds3

About 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone

1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone (PubChem CID 121204163) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
PubChem CID121204163
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2c(CO)cccc21
InChIInChI=1S/C12H16N2O2/c1-13-7-12(16)14-6-5-10-9(8-15)3-2-4-11(10)14/h2-4,13,15H,5-8H2,1H3
InChIKeyGYJBQTMHYRNQJU-UHFFFAOYSA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
CID 171813658
(1-amino-2,3-dihydroindol-4-yl)methanol
CID 121204170
(1-propan-2-yl-2,3-dihydroindol-4-yl)methanol
CID 115114810
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61161658
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone (CID 121204163) is 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCc2c(CO)cccc21.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone?
The InChIKey is GYJBQTMHYRNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-7-12(16)14-6-5-10-9(8-15)3-2-4-11(10)14/h2-4,13,15H,5-8H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone?
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone has a molecular weight of 220.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 121204163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).