(3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

C11H18N2O3 — CID 146150249

IUPAC(3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESCC(=O)N1[C@H](C(=O)N(C)C)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C11H18N2O3/c1-7(14)13-8-4-5-16-10(8)6-9(13)11(15)12(2)3/h8-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyZTNQBXUOBQORSQ-GUBZILKMSA-N
MW226.28 g/mol
LogP-0.15
Rot. Bonds1

About (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

(3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 146150249) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
PubChem CID146150249
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESCC(=O)N1[C@H](C(=O)N(C)C)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C11H18N2O3/c1-7(14)13-8-4-5-16-10(8)6-9(13)11(15)12(2)3/h8-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyZTNQBXUOBQORSQ-GUBZILKMSA-N
XLogP-0.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (CID 146150249) is (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is CC(=O)N1[C@H](C(=O)N(C)C)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZTNQBXUOBQORSQ-GUBZILKMSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(14)13-8-4-5-16-10(8)6-9(13)11(15)12(2)3/h8-10H,4-6H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
(3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-4-acetyl-N,N-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146150249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).