[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine

C11H18N2O2 — CID 103539631

IUPAC[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCOC1CCN(Cc2occc2CN)C1
InChIInChI=1S/C11H18N2O2/c1-14-10-2-4-13(7-10)8-11-9(6-12)3-5-15-11/h3,5,10H,2,4,6-8,12H2,1H3
InChIKeyNZDKONDQLUEPRS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.96
Rot. Bonds4

About [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine

[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 103539631) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID103539631
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCOC1CCN(Cc2occc2CN)C1
InChIInChI=1S/C11H18N2O2/c1-14-10-2-4-13(7-10)8-11-9(6-12)3-5-15-11/h3,5,10H,2,4,6-8,12H2,1H3
InChIKeyNZDKONDQLUEPRS-UHFFFAOYSA-N
XLogP0.96
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine (CID 103539631) is [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine is COC1CCN(Cc2occc2CN)C1.
What is the InChIKey of [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is NZDKONDQLUEPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-10-2-4-13(7-10)8-11-9(6-12)3-5-15-11/h3,5,10H,2,4,6-8,12H2,1H3.
What are the key properties of [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 103539631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).