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

C19H25N3O3 — CID 97459521

IUPAC[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
SMILESCN(C)CCO[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12
InChIInChI=1S/C19H25N3O3/c1-21(2)7-8-25-18-10-22(17-12-24-11-15(17)18)19(23)14-3-4-16-13(9-14)5-6-20-16/h3-6,9,15,17-18,20H,7-8,10-12H2,1-2H3/t15-,17+,18-/m0/s1
InChIKeyDWLKQMQHJXWGEI-JQHSSLGASA-N
MW343.43 g/mol
LogP1.59
Rot. Bonds5

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

[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 97459521) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
PubChem CID97459521
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
SMILESCN(C)CCO[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12
InChIInChI=1S/C19H25N3O3/c1-21(2)7-8-25-18-10-22(17-12-24-11-15(17)18)19(23)14-3-4-16-13(9-14)5-6-20-16/h3-6,9,15,17-18,20H,7-8,10-12H2,1-2H3/t15-,17+,18-/m0/s1
InChIKeyDWLKQMQHJXWGEI-JQHSSLGASA-N
XLogP1.59
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(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
[(3S,3aS,6aR)-3-ethoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133145120
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
(3S)-4-(1H-indole-5-carbonyl)morpholine-3-carboxylic acid
CID 124513582
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
(1R,2S,8R,9S)-8-[(dimethylamino)methyl]-11-(1H-indole-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 169421107
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
(5-ethyl-2-methylmorpholin-4-yl)-(1H-indol-6-yl)methanone
CID 61060054
[(2S,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 124816715
[2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1H-indol-5-yl)methanone
CID 131642167
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone (CID 97459521) is [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone is CN(C)CCO[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12.
What is the InChIKey of [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is DWLKQMQHJXWGEI-JQHSSLGASA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(2)7-8-25-18-10-22(17-12-24-11-15(17)18)19(23)14-3-4-16-13(9-14)5-6-20-16/h3-6,9,15,17-18,20H,7-8,10-12H2,1-2H3/t15-,17+,18-/m0/s1.
What are the key properties of [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone?
[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 97459521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).