[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone

C17H28N2O3 — CID 138016083

IUPAC[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C17H28N2O3/c20-16(14-11-15-13(18-14)5-9-21-15)19-8-10-22-17(12-19)6-3-1-2-4-7-17/h13-15,18H,1-12H2/t13-,14-,15-/m0/s1
InChIKeySWIRPFIPYLIDIU-KKUMJFAQSA-N
MW308.42 g/mol
LogP1.46
Rot. Bonds1

About [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone

[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 138016083) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Name[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
PubChem CID138016083
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C17H28N2O3/c20-16(14-11-15-13(18-14)5-9-21-15)19-8-10-22-17(12-19)6-3-1-2-4-7-17/h13-15,18H,1-12H2/t13-,14-,15-/m0/s1
InChIKeySWIRPFIPYLIDIU-KKUMJFAQSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone (CID 138016083) is [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone is O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCOC2(CCCCCC2)C1.
What is the InChIKey of [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is SWIRPFIPYLIDIU-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(14-11-15-13(18-14)5-9-21-15)19-8-10-22-17(12-19)6-3-1-2-4-7-17/h13-15,18H,1-12H2/t13-,14-,15-/m0/s1.
What are the key properties of [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone?
[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 308.42 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 138016083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).