1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one

C18H22ClFN2O2 — CID 124806695

IUPAC1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CO[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]12
InChIInChI=1S/C18H22ClFN2O2/c19-15-4-3-12(6-16(15)20)7-21-9-14-13(11-24-17(14)10-21)8-22-5-1-2-18(22)23/h3-4,6,13-14,17H,1-2,5,7-11H2/t13-,14+,17+/m1/s1
InChIKeyRSSDRPKUQZXHSR-KEYYUXOJSA-N
MW352.84 g/mol
LogP2.55
Rot. Bonds4

About 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one

1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 124806695) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
PubChem CID124806695
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@@H]1CO[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]12
InChIInChI=1S/C18H22ClFN2O2/c19-15-4-3-12(6-16(15)20)7-21-9-14-13(11-24-17(14)10-21)8-22-5-1-2-18(22)23/h3-4,6,13-14,17H,1-2,5,7-11H2/t13-,14+,17+/m1/s1
InChIKeyRSSDRPKUQZXHSR-KEYYUXOJSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[(3R,3aR,6aR)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124808025
1-[[(3R,3aR,6aR)-5-[2-(4-chlorophenoxy)ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124802144
1-[[(3S,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155851991
1-[[(3R,3aS,6aS)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155848131
1-[[(3R,3aR,6aR)-5-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124916372
1-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155830734
(5aS,9aS)-8-[(4-chloro-3-fluorophenyl)methyl]-2,3,4,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-5-one
CID 124790059
[(4aS,7aR)-6-[(4-chloro-3-fluorophenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-(furan-2-yl)methanone
CID 124916197
1-[[(3R,3aS,7aS)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 124812674
1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one;6-piperazin-1-ylpyridin-3-ol
CID 145296531
1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155860898
2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one (CID 124806695) is 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@@H]1CO[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]12.
What is the InChIKey of 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is RSSDRPKUQZXHSR-KEYYUXOJSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c19-15-4-3-12(6-16(15)20)7-21-9-14-13(11-24-17(14)10-21)8-22-5-1-2-18(22)23/h3-4,6,13-14,17H,1-2,5,7-11H2/t13-,14+,17+/m1/s1.
What are the key properties of 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one?
1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 352.84 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124806695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).