[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine

C13H20N2O — CID 50948250

IUPAC[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
SMILESC/C(=C\c1ccco1)CN1CCC(CN)C1
InChIInChI=1S/C13H20N2O/c1-11(7-13-3-2-6-16-13)9-15-5-4-12(8-14)10-15/h2-3,6-7,12H,4-5,8-10,14H2,1H3/b11-7+
InChIKeyOVRKLHUOGLNLQV-YRNVUSSQSA-N
MW220.32 g/mol
LogP1.96
Rot. Bonds4

About [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine

[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine (PubChem CID 50948250) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
PubChem CID50948250
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
SMILESC/C(=C\c1ccco1)CN1CCC(CN)C1
InChIInChI=1S/C13H20N2O/c1-11(7-13-3-2-6-16-13)9-15-5-4-12(8-14)10-15/h2-3,6-7,12H,4-5,8-10,14H2,1H3/b11-7+
InChIKeyOVRKLHUOGLNLQV-YRNVUSSQSA-N
XLogP1.96
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine (CID 50948250) is [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine is C/C(=C\c1ccco1)CN1CCC(CN)C1.
What is the InChIKey of [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine?
The InChIKey is OVRKLHUOGLNLQV-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(7-13-3-2-6-16-13)9-15-5-4-12(8-14)10-15/h2-3,6-7,12H,4-5,8-10,14H2,1H3/b11-7+.
What are the key properties of [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine?
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 50948250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).