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

C11H20N2O — CID 130686441

IUPAC2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide
SMILESCC(C(N)=O)N1CC2CCCCC2C1
InChIInChI=1S/C11H20N2O/c1-8(11(12)14)13-6-9-4-2-3-5-10(9)7-13/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyQKBHOXJVHYEFNJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds2

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

2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide (PubChem CID 130686441) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide
PubChem CID130686441
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide
SMILESCC(C(N)=O)N1CC2CCCCC2C1
InChIInChI=1S/C11H20N2O/c1-8(11(12)14)13-6-9-4-2-3-5-10(9)7-13/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyQKBHOXJVHYEFNJ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanoic acid
CID 131057852
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
CID 64851610
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 60644884
(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
CID 82750365
2-pyrrolidin-1-ylpropanamide;dihydrochloride
CID 142642428
2-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]propanamide
CID 130757921
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylbutanoate
CID 115560448

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide?
The IUPAC name of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide (CID 130686441) is 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide?
The canonical SMILES for 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide is CC(C(N)=O)N1CC2CCCCC2C1.
What is the InChIKey of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide?
The InChIKey is QKBHOXJVHYEFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(11(12)14)13-6-9-4-2-3-5-10(9)7-13/h8-10H,2-7H2,1H3,(H2,12,14).
What are the key properties of 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide?
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide has a molecular weight of 196.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propanamide is sourced from PubChem (CID 130686441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).