(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

C11H20N2O — CID 64850841

IUPAC(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESC1C[C@H]2CN(CC3CCOC3)C[C@H]2N1
InChIInChI=1S/C11H20N2O/c1-3-12-11-7-13(6-10(1)11)5-9-2-4-14-8-9/h9-12H,1-8H2/t9?,10-,11+/m0/s1
InChIKeyXZWYBJBLASSQET-QXXIUIOUSA-N
MW196.29 g/mol
LogP0.32
Rot. Bonds2

About (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole

(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 64850841) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID64850841
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESC1C[C@H]2CN(CC3CCOC3)C[C@H]2N1
InChIInChI=1S/C11H20N2O/c1-3-12-11-7-13(6-10(1)11)5-9-2-4-14-8-9/h9-12H,1-8H2/t9?,10-,11+/m0/s1
InChIKeyXZWYBJBLASSQET-QXXIUIOUSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
6-(cyclopropylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678700
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
5-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64860286
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456
4-[3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2,2-dimethylpropyl]morpholine;dihydrochloride
CID 154906371
1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
CID 130542390
1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide
CID 137402497
5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole (CID 64850841) is (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is C1C[C@H]2CN(CC3CCOC3)C[C@H]2N1.
What is the InChIKey of (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is XZWYBJBLASSQET-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-12-11-7-13(6-10(1)11)5-9-2-4-14-8-9/h9-12H,1-8H2/t9?,10-,11+/m0/s1.
What are the key properties of (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole?
(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole has a molecular weight of 196.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 64850841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).