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

C16H23N3O3 — CID 97377329

IUPAC(2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-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(C)C
InChIInChI=1S/C16H23N3O3/c1-10(2)19-12(15(20)17-3)7-11-8-18(9-13(11)19)16(21)14-5-4-6-22-14/h4-6,10-13H,7-9H2,1-3H3,(H,17,20)/t11-,12-,13+/m0/s1
InChIKeyKFLQCEONIMEIRX-RWMBFGLXSA-N
MW305.38 g/mol
LogP0.95
Rot. Bonds3

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

(2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97377329) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-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-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97377329
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-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(C)C
InChIInChI=1S/C16H23N3O3/c1-10(2)19-12(15(20)17-3)7-11-8-18(9-13(11)19)16(21)14-5-4-6-22-14/h4-6,10-13H,7-9H2,1-3H3,(H,17,20)/t11-,12-,13+/m0/s1
InChIKeyKFLQCEONIMEIRX-RWMBFGLXSA-N
XLogP0.95
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-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-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97377329) is (2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-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-methyl-1-propan-2-yl-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-methyl-1-propan-2-yl-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(C)C.
What is the InChIKey of (2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is KFLQCEONIMEIRX-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)19-12(15(20)17-3)7-11-8-18(9-13(11)19)16(21)14-5-4-6-22-14/h4-6,10-13H,7-9H2,1-3H3,(H,17,20)/t11-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-5-(furan-2-carbonyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.95, 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-carbonyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).