1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone

C11H13NO2 — CID 112712561

IUPAC1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone
SMILESCC(=O)C1=CC=CC2C=C(CO)NC12
InChIInChI=1S/C11H13NO2/c1-7(14)10-4-2-3-8-5-9(6-13)12-11(8)10/h2-5,8,11-13H,6H2,1H3
InChIKeySKYWNRSYLVAHEL-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.54
Rot. Bonds2

About 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone

1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone (PubChem CID 112712561) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone
PubChem CID112712561
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone
SMILESCC(=O)C1=CC=CC2C=C(CO)NC12
InChIInChI=1S/C11H13NO2/c1-7(14)10-4-2-3-8-5-9(6-13)12-11(8)10/h2-5,8,11-13H,6H2,1H3
InChIKeySKYWNRSYLVAHEL-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol
CID 112713618
1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
CID 13152392
2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-4-yl)ethanone
CID 112712511
1-(5,6-dihydroxy-5-propylcyclohexa-1,3-dien-1-yl)ethanone
CID 70374779
1-(2-acetyl-9-tricyclo[6.4.1.03,6]trideca-2,6,9,11-tetraenyl)ethanone
CID 101350787
6-butanoyl-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
CID 155253119
1-[2-(hydroxymethyl)-3a,7a-dihydro-1-benzofuran-5-yl]ethanone
CID 112712625
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956
1-(4a,8a-dihydroquinolin-2-yl)ethanone
CID 143408622
methyl 2,3,3a,7a-tetrahydro-1H-benzimidazole-4-carboxylate
CID 91144826
[7-(aminomethyl)-3a,7a-dihydro-1-benzofuran-2-yl]methanol
CID 112712254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone (CID 112712561) is 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone is CC(=O)C1=CC=CC2C=C(CO)NC12.
What is the InChIKey of 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone?
The InChIKey is SKYWNRSYLVAHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(14)10-4-2-3-8-5-9(6-13)12-11(8)10/h2-5,8,11-13H,6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone?
1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone has a molecular weight of 191.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanone is sourced from PubChem (CID 112712561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).