[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone

C12H20N2O2 — CID 43594558

IUPAC[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C12H20N2O2/c15-12(9-2-5-16-6-3-9)14-4-1-10-7-13-8-11(10)14/h9-11,13H,1-8H2/t10-,11+/m0/s1
InChIKeyUAKOGUROPZTUAV-WDEREUQCSA-N
MW224.30 g/mol
LogP0.23
Rot. Bonds1

About [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone (PubChem CID 43594558) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone
PubChem CID43594558
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C12H20N2O2/c15-12(9-2-5-16-6-3-9)14-4-1-10-7-13-8-11(10)14/h9-11,13H,1-8H2/t10-,11+/m0/s1
InChIKeyUAKOGUROPZTUAV-WDEREUQCSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

((3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 97031341
Oxan-4-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71936706
(2S,3aR,6aR)-N-methyl-5-(oxane-4-carbonyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 125226981
(2R,3aR,6aR)-1-acetyl-N-methyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 134690121
(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 134690382
(S)-(3-Aminopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 53256339
1-(Oxane-4-carbonyl)pyrrolidin-3-amine
CID 62068425
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90438036
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90442600
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 130272224
N-(1-methylpyrrolidin-3-yl)oxane-4-carboxamide
CID 139418995
1-[3-(methylamino)pyrrolidin-1-yl]-2-[(3S)-oxolan-3-yl]ethanone
CID 170218602

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone (CID 43594558) is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone?
The InChIKey is UAKOGUROPZTUAV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(9-2-5-16-6-3-9)14-4-1-10-7-13-8-11(10)14/h9-11,13H,1-8H2/t10-,11+/m0/s1.
What are the key properties of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone?
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 43594558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).