1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone

Name: 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉NO₂ — CID 157037936

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone

SMILESCC(=O)N1C(CO)CC2CCCCC21

InChIInChI=1S/C11H19NO2/c1-8(14)12-10(7-13)6-9-4-2-3-5-11(9)12/h9-11,13H,2-7H2,1H3

InChIKeyBLRMWHQDLTWNCH-UHFFFAOYSA-N

MW197.28 g/mol

LogP1.16

Rot. Bonds1

About 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone

1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone (PubChem CID 157037936) has the molecular formula C₁₁H₁₉NO₂ and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone.

Molecular Properties

Compound Name	1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
PubChem CID	157037936
Molecular Formula	C₁₁H₁₉NO₂
Molecular Weight	197.28 g/mol
Exact Mass	197.14
IUPAC Name	1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone
SMILES	CC(=O)N1C(CO)CC2CCCCC21
InChI	InChI=1S/C11H19NO2/c1-8(14)12-10(7-13)6-9-4-2-3-5-11(9)12/h9-11,13H,2-7H2,1H3
InChIKey	BLRMWHQDLTWNCH-UHFFFAOYSA-N
XLogP	1.16
TPSA	40.54 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.28
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?

The IUPAC name of 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone (CID 157037936) is 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone.

What is the SMILES notation for 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?

The canonical SMILES for 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone is CC(=O)N1C(CO)CC2CCCCC21.

What is the InChIKey of 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?

The InChIKey is BLRMWHQDLTWNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(14)12-10(7-13)6-9-4-2-3-5-11(9)12/h9-11,13H,2-7H2,1H3.

What are the key properties of 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone?

1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethanone is sourced from PubChem (CID 157037936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 157037936 — identifiers, structure, computed properties (public domain)

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