1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole

C13H22N2O — CID 91133776

IUPAC1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole
SMILESC1=CN(C2COCCC2N2CCCC2)CC1
InChIInChI=1S/C13H22N2O/c1-2-7-14(6-1)12-5-10-16-11-13(12)15-8-3-4-9-15/h3,8,12-13H,1-2,4-7,9-11H2
InChIKeyVGFSJOZMNOPCNF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.46
Rot. Bonds2

About 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole

1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole (PubChem CID 91133776) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole
PubChem CID91133776
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole
SMILESC1=CN(C2COCCC2N2CCCC2)CC1
InChIInChI=1S/C13H22N2O/c1-2-7-14(6-1)12-5-10-16-11-13(12)15-8-3-4-9-15/h3,8,12-13H,1-2,4-7,9-11H2
InChIKeyVGFSJOZMNOPCNF-UHFFFAOYSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole?
The IUPAC name of 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole (CID 91133776) is 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole is C1=CN(C2COCCC2N2CCCC2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole?
The InChIKey is VGFSJOZMNOPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-7-14(6-1)12-5-10-16-11-13(12)15-8-3-4-9-15/h3,8,12-13H,1-2,4-7,9-11H2.
What are the key properties of 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole?
1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole has a molecular weight of 222.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-yloxan-3-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 91133776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).