[(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone

C17H21N3O2 — CID 97386636

IUPAC[(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
SMILESCN(C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12
InChIInChI=1S/C17H21N3O2/c1-19(2)15-8-20(16-10-22-9-13(15)16)17(21)12-3-4-14-11(7-12)5-6-18-14/h3-7,13,15-16,18H,8-10H2,1-2H3/t13-,15-,16-/m1/s1
InChIKeyFYRHEJFHZANEGN-FVQBIDKESA-N
MW299.37 g/mol
LogP1.57
Rot. Bonds2

About [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone

[(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 97386636) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
PubChem CID97386636
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
SMILESCN(C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12
InChIInChI=1S/C17H21N3O2/c1-19(2)15-8-20(16-10-22-9-13(15)16)17(21)12-3-4-14-11(7-12)5-6-18-14/h3-7,13,15-16,18H,8-10H2,1-2H3/t13-,15-,16-/m1/s1
InChIKeyFYRHEJFHZANEGN-FVQBIDKESA-N
XLogP1.57
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone (CID 97386636) is [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone is CN(C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12.
What is the InChIKey of [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is FYRHEJFHZANEGN-FVQBIDKESA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19(2)15-8-20(16-10-22-9-13(15)16)17(21)12-3-4-14-11(7-12)5-6-18-14/h3-7,13,15-16,18H,8-10H2,1-2H3/t13-,15-,16-/m1/s1.
What are the key properties of [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
[(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6aS)-3-(dimethylamino)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 97386636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).