(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C14H21N3O2 — CID 97377298

IUPAC(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C
InChIInChI=1S/C14H21N3O2/c1-15-14(18)12-6-10-7-17(9-13(10)16(12)2)8-11-4-3-5-19-11/h3-5,10,12-13H,6-9H2,1-2H3,(H,15,18)/t10-,12-,13+/m0/s1
InChIKeyOEWXOZUSNMILDE-WCFLWFBJSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds3

About (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97377298) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97377298
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C
InChIInChI=1S/C14H21N3O2/c1-15-14(18)12-6-10-7-17(9-13(10)16(12)2)8-11-4-3-5-19-11/h3-5,10,12-13H,6-9H2,1-2H3,(H,15,18)/t10-,12-,13+/m0/s1
InChIKeyOEWXOZUSNMILDE-WCFLWFBJSA-N
XLogP0.53
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97377298) is (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C.
What is the InChIKey of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is OEWXOZUSNMILDE-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-14(18)12-6-10-7-17(9-13(10)16(12)2)8-11-4-3-5-19-11/h3-5,10,12-13H,6-9H2,1-2H3,(H,15,18)/t10-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).