1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone

C11H20N2O — CID 163957368

IUPAC1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone
SMILESCNC1CCC2NC(C(C)=O)CC2C1
InChIInChI=1S/C11H20N2O/c1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11/h8-13H,3-6H2,1-2H3
InChIKeySENXHEPWDBAGTA-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.69
Rot. Bonds2

About 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone

1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone (PubChem CID 163957368) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone
PubChem CID163957368
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone
SMILESCNC1CCC2NC(C(C)=O)CC2C1
InChIInChI=1S/C11H20N2O/c1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11/h8-13H,3-6H2,1-2H3
InChIKeySENXHEPWDBAGTA-UHFFFAOYSA-N
XLogP0.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone?
The IUPAC name of 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone (CID 163957368) is 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone?
The canonical SMILES for 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone is CNC1CCC2NC(C(C)=O)CC2C1.
What is the InChIKey of 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone?
The InChIKey is SENXHEPWDBAGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11/h8-13H,3-6H2,1-2H3.
What are the key properties of 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone?
1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone is sourced from PubChem (CID 163957368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).