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

C14H19N3O3 — CID 97377307

IUPAC(2S,3aS,6aS)-5-(furan-2-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2N1C
InChIInChI=1S/C14H19N3O3/c1-15-13(18)10-6-9-7-17(8-11(9)16(10)2)14(19)12-4-3-5-20-12/h3-5,9-11H,6-8H2,1-2H3,(H,15,18)/t9-,10-,11+/m0/s1
InChIKeyGQDZIMVSLMEDAB-GARJFASQSA-N
MW277.32 g/mol
LogP0.17
Rot. Bonds2

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

(2S,3aS,6aS)-5-(furan-2-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97377307) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S,3aS,6aS)-5-(furan-2-carbonyl)-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-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97377307
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2S,3aS,6aS)-5-(furan-2-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2N1C
InChIInChI=1S/C14H19N3O3/c1-15-13(18)10-6-9-7-17(8-11(9)16(10)2)14(19)12-4-3-5-20-12/h3-5,9-11H,6-8H2,1-2H3,(H,15,18)/t9-,10-,11+/m0/s1
InChIKeyGQDZIMVSLMEDAB-GARJFASQSA-N
XLogP0.17
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,6aS)-5-(furan-2-carbonyl)-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-carbonyl)-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-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97377307) is (2S,3aS,6aS)-5-(furan-2-carbonyl)-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-carbonyl)-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-carbonyl)-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(C(=O)c3ccco3)C[C@H]2N1C.
What is the InChIKey of (2S,3aS,6aS)-5-(furan-2-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is GQDZIMVSLMEDAB-GARJFASQSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-13(18)10-6-9-7-17(8-11(9)16(10)2)14(19)12-4-3-5-20-12/h3-5,9-11H,6-8H2,1-2H3,(H,15,18)/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3aS,6aS)-5-(furan-2-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-5-(furan-2-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.17, 2 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-carbonyl)-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).