1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone

C10H13NO — CID 23091970

IUPAC1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone
SMILESCC(=O)N1CCC2C=CC=CC21
InChIInChI=1S/C10H13NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5,9-10H,6-7H2,1H3
InChIKeyJVXYNPXJXPKDHR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.35
Rot. Bonds

About 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone

1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone (PubChem CID 23091970) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone
PubChem CID23091970
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone
SMILESCC(=O)N1CCC2C=CC=CC21
InChIInChI=1S/C10H13NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5,9-10H,6-7H2,1H3
InChIKeyJVXYNPXJXPKDHR-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone?
The IUPAC name of 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone (CID 23091970) is 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone?
The canonical SMILES for 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone is CC(=O)N1CCC2C=CC=CC21.
What is the InChIKey of 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone?
The InChIKey is JVXYNPXJXPKDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5,9-10H,6-7H2,1H3.
What are the key properties of 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone?
1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,7a-tetrahydroindol-1-yl)ethanone is sourced from PubChem (CID 23091970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).