2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide

C10H18N2O — CID 130961650

IUPAC2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide
SMILESNC(=O)CN1C[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C10H18N2O/c11-10(13)7-12-5-8-3-1-2-4-9(8)6-12/h8-9H,1-7H2,(H2,11,13)/t8-,9+
InChIKeyUKEICOHZCNZUHX-DTORHVGOSA-N
MW182.27 g/mol
LogP0.59
Rot. Bonds2

About 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide

2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide (PubChem CID 130961650) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide
PubChem CID130961650
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide
SMILESNC(=O)CN1C[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C10H18N2O/c11-10(13)7-12-5-8-3-1-2-4-9(8)6-12/h8-9H,1-7H2,(H2,11,13)/t8-,9+
InChIKeyUKEICOHZCNZUHX-DTORHVGOSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide 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-amino-1-(4,4-difluorooctahydro-2H-isoindol-2-yl)ethan-1-one
CID 121201929
1-[(3aS,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497710
1-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497713
1-[(3aS,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497714
1-[(3aR,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-aminoethanone
CID 129497716
2-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)acetamide
CID 13732537
2-[(3aR,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]acetamide
CID 54460815
2-[(3aS,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]acetamide
CID 54460816
3-(1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl)propanamide
CID 58245649
2-(2,3,3a,4,5,6,7,7a-Octahydroindol-1-yl)acetamide
CID 58245656
2-(1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl)acetamide
CID 58245673
(1R,3aR,7aS)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
CID 60015659

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide?
The IUPAC name of 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide (CID 130961650) is 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide.
What is the SMILES notation for 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide?
The canonical SMILES for 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide is NC(=O)CN1C[C@H]2CCCC[C@H]2C1.
What is the InChIKey of 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide?
The InChIKey is UKEICOHZCNZUHX-DTORHVGOSA-N. The full InChI is InChI=1S/C10H18N2O/c11-10(13)7-12-5-8-3-1-2-4-9(8)6-12/h8-9H,1-7H2,(H2,11,13)/t8-,9+.
What are the key properties of 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide?
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide is sourced from PubChem (CID 130961650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).