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

C19H25ClN2O3 — CID 124802144

IUPAC1-[[(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
SMILESO=C1CCCN1C[C@@H]1CO[C@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]12
InChIInChI=1S/C19H25ClN2O3/c20-15-3-5-16(6-4-15)24-9-8-21-11-17-14(13-25-18(17)12-21)10-22-7-1-2-19(22)23/h3-6,14,17-18H,1-2,7-13H2/t14-,17+,18+/m1/s1
InChIKeyMTZXWGSEDIMXGZ-JLSDUUJJSA-N
MW364.87 g/mol
LogP2.29
Rot. Bonds6

About 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

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 (PubChem CID 124802144) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[(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
PubChem CID124802144
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-[[(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
SMILESO=C1CCCN1C[C@@H]1CO[C@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]12
InChIInChI=1S/C19H25ClN2O3/c20-15-3-5-16(6-4-15)24-9-8-21-11-17-14(13-25-18(17)12-21)10-22-7-1-2-19(22)23/h3-6,14,17-18H,1-2,7-13H2/t14-,17+,18+/m1/s1
InChIKeyMTZXWGSEDIMXGZ-JLSDUUJJSA-N
XLogP2.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCCN1C[C@@H]1CO[C@H]2CN(CCOc3ccc(Cl)cc3)C[C@@H]12.
What is the InChIKey of 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?
The InChIKey is MTZXWGSEDIMXGZ-JLSDUUJJSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-15-3-5-16(6-4-15)24-9-8-21-11-17-14(13-25-18(17)12-21)10-22-7-1-2-19(22)23/h3-6,14,17-18H,1-2,7-13H2/t14-,17+,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 364.87 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124802144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).