2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide

C11H20N2O — CID 82750365

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC2CCCCC21
InChIInChI=1S/C11H20N2O/c1-8(11(12)14)13-7-6-9-4-2-3-5-10(9)13/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyOKRCCBUJFNQSRK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.12
Rot. Bonds2

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide (PubChem CID 82750365) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
PubChem CID82750365
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
SMILESCC(C(N)=O)N1CCC2CCCCC21
InChIInChI=1S/C11H20N2O/c1-8(11(12)14)13-7-6-9-4-2-3-5-10(9)13/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyOKRCCBUJFNQSRK-UHFFFAOYSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide (CID 82750365) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide is CC(C(N)=O)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide?
The InChIKey is OKRCCBUJFNQSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(11(12)14)13-7-6-9-4-2-3-5-10(9)13/h8-10H,2-7H2,1H3,(H2,12,14).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide has a molecular weight of 196.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide is sourced from PubChem (CID 82750365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).