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

C13H22N2O2 — CID 82746951

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
SMILESNC1(C(=O)N2CCC3CCCCC32)CCOC1
InChIInChI=1S/C13H22N2O2/c14-13(6-8-17-9-13)12(16)15-7-5-10-3-1-2-4-11(10)15/h10-11H,1-9,14H2
InChIKeyRVGZJMZLCMKUOD-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds1

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

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone (PubChem CID 82746951) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
PubChem CID82746951
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
SMILESNC1(C(=O)N2CCC3CCCCC32)CCOC1
InChIInChI=1S/C13H22N2O2/c14-13(6-8-17-9-13)12(16)15-7-5-10-3-1-2-4-11(10)15/h10-11H,1-9,14H2
InChIKeyRVGZJMZLCMKUOD-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone 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

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
CID 130991613
(3-aminooxolan-3-yl)-(2-ethylazepan-1-yl)methanone
CID 104689740
[4-(aminomethyl)oxan-4-yl]-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 115439257
3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid
CID 64891608
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 82746412
4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one
CID 64891426
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
CID 104597165
N-[2-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 64891761
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 66250603
2-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]acetamide
CID 64891161

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone (CID 82746951) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone is NC1(C(=O)N2CCC3CCCCC32)CCOC1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone?
The InChIKey is RVGZJMZLCMKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-13(6-8-17-9-13)12(16)15-7-5-10-3-1-2-4-11(10)15/h10-11H,1-9,14H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone is sourced from PubChem (CID 82746951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).