[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone

C17H29N3O3 — CID 124788204

IUPAC[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1COC[C@@H]2CN(CCN3CCCC3)C[C@@H]21)N1CCCO1
InChIInChI=1S/C17H29N3O3/c21-17(20-6-3-9-23-20)16-13-22-12-14-10-19(11-15(14)16)8-7-18-4-1-2-5-18/h14-16H,1-13H2/t14-,15-,16+/m0/s1
InChIKeyZGTNLNMCAHIGKT-HRCADAONSA-N
MW323.44 g/mol
LogP0.44
Rot. Bonds4

About [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 124788204) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID124788204
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@@H]1COC[C@@H]2CN(CCN3CCCC3)C[C@@H]21)N1CCCO1
InChIInChI=1S/C17H29N3O3/c21-17(20-6-3-9-23-20)16-13-22-12-14-10-19(11-15(14)16)8-7-18-4-1-2-5-18/h14-16H,1-13H2/t14-,15-,16+/m0/s1
InChIKeyZGTNLNMCAHIGKT-HRCADAONSA-N
XLogP0.44
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone (CID 124788204) is [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@@H]1COC[C@@H]2CN(CCN3CCCC3)C[C@@H]21)N1CCCO1.
What is the InChIKey of [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is ZGTNLNMCAHIGKT-HRCADAONSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-17(20-6-3-9-23-20)16-13-22-12-14-10-19(11-15(14)16)8-7-18-4-1-2-5-18/h14-16H,1-13H2/t14-,15-,16+/m0/s1.
What are the key properties of [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 124788204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).