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

C18H28N4O2 — CID 124808025

IUPAC1-[[(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
SMILESCC(C)n1cc(CN2C[C@H]3[C@H](CN4CCCC4=O)CO[C@H]3C2)cn1
InChIInChI=1S/C18H28N4O2/c1-13(2)22-8-14(6-19-22)7-20-10-16-15(12-24-17(16)11-20)9-21-5-3-4-18(21)23/h6,8,13,15-17H,3-5,7,9-12H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeySKORRBCHLJMVQS-IKGGRYGDSA-N
MW332.45 g/mol
LogP1.53
Rot. Bonds5

About 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

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 (PubChem CID 124808025) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[(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
PubChem CID124808025
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[[(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
SMILESCC(C)n1cc(CN2C[C@H]3[C@H](CN4CCCC4=O)CO[C@H]3C2)cn1
InChIInChI=1S/C18H28N4O2/c1-13(2)22-8-14(6-19-22)7-20-10-16-15(12-24-17(16)11-20)9-21-5-3-4-18(21)23/h6,8,13,15-17H,3-5,7,9-12H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeySKORRBCHLJMVQS-IKGGRYGDSA-N
XLogP1.53
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1cc(CN2C[C@H]3[C@H](CN4CCCC4=O)CO[C@H]3C2)cn1.
What is the InChIKey of 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?
The InChIKey is SKORRBCHLJMVQS-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)22-8-14(6-19-22)7-20-10-16-15(12-24-17(16)11-20)9-21-5-3-4-18(21)23/h6,8,13,15-17H,3-5,7,9-12H2,1-2H3/t15-,16+,17+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 332.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124808025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).