[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone

C19H26N2O3 — CID 155875945

IUPAC[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CN2C[C@@H]3[C@@H](C(=O)N4CCCC4)CO[C@@H]3C2)c1
InChIInChI=1S/C19H26N2O3/c1-23-15-6-4-5-14(9-15)10-20-11-16-17(13-24-18(16)12-20)19(22)21-7-2-3-8-21/h4-6,9,16-18H,2-3,7-8,10-13H2,1H3/t16-,17+,18-/m1/s1
InChIKeyYQEMEJNTTKNOHY-FGTMMUONSA-N
MW330.43 g/mol
LogP1.76
Rot. Bonds4

About [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone

[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155875945) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID155875945
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CN2C[C@@H]3[C@@H](C(=O)N4CCCC4)CO[C@@H]3C2)c1
InChIInChI=1S/C19H26N2O3/c1-23-15-6-4-5-14(9-15)10-20-11-16-17(13-24-18(16)12-20)19(22)21-7-2-3-8-21/h4-6,9,16-18H,2-3,7-8,10-13H2,1H3/t16-,17+,18-/m1/s1
InChIKeyYQEMEJNTTKNOHY-FGTMMUONSA-N
XLogP1.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[(3aR,4S,7aR)-6-[(4-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 124796612
2-[2-[(3S,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]-N,N-dimethylacetamide
CID 133142087
N-[[(3S,3aR,6aR)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
CID 124796875
[(3S)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558693
(3aS,4R,7aS)-N-cyclopentyl-6-[(3-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155876233
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165435270
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492
[(5aR,8aS)-7-[(3-methoxyphenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]-(furan-2-yl)methanone
CID 97420299
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(3aS,4R,7aS)-6-[(3-methoxyphenyl)methyl]-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155875444

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone (CID 155875945) is [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone is COc1cccc(CN2C[C@@H]3[C@@H](C(=O)N4CCCC4)CO[C@@H]3C2)c1.
What is the InChIKey of [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YQEMEJNTTKNOHY-FGTMMUONSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-23-15-6-4-5-14(9-15)10-20-11-16-17(13-24-18(16)12-20)19(22)21-7-2-3-8-21/h4-6,9,16-18H,2-3,7-8,10-13H2,1H3/t16-,17+,18-/m1/s1.
What are the key properties of [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aS)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155875945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).