2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone

C18H26N2O4 — CID 97421025

IUPAC2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1
InChIInChI=1S/C18H26N2O4/c21-17(20-5-1-2-6-20)11-23-14-18-12-19(8-15(18)10-22-13-18)9-16-4-3-7-24-16/h3-4,7,15H,1-2,5-6,8-14H2/t15-,18+/m1/s1
InChIKeyUWASBNQKZUMHOH-QAPCUYQASA-N
MW334.42 g/mol
LogP1.37
Rot. Bonds6

About 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 97421025) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID97421025
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1
InChIInChI=1S/C18H26N2O4/c21-17(20-5-1-2-6-20)11-23-14-18-12-19(8-15(18)10-22-13-18)9-16-4-3-7-24-16/h3-4,7,15H,1-2,5-6,8-14H2/t15-,18+/m1/s1
InChIKeyUWASBNQKZUMHOH-QAPCUYQASA-N
XLogP1.37
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-[(3aS,6aS)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
CID 124821199
(3aS,8aS)-5-(2-ethoxyacetyl)-2-(furan-2-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124826646
1-[(3aR,6aR)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone
CID 97421256
2-[(3aR,7S,7aS)-2-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379920
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
2-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127023653
2-[[4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 131649646
2-[[(4aS,6S,7aS)-4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124522341
2-[[(4aR,6S,7aR)-4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 98779191
6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
CID 97421345
(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155843171
2-[[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97379683

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 97421025) is 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone is O=C(COC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1.
What is the InChIKey of 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is UWASBNQKZUMHOH-QAPCUYQASA-N. The full InChI is InChI=1S/C18H26N2O4/c21-17(20-5-1-2-6-20)11-23-14-18-12-19(8-15(18)10-22-13-18)9-16-4-3-7-24-16/h3-4,7,15H,1-2,5-6,8-14H2/t15-,18+/m1/s1.
What are the key properties of 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 334.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97421025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).