(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium

C20H40N2Y — CID 161375571

IUPAC(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium
SMILESC.C/C(C1=NCCC1)=C(C)\C(C)=C1/CCCN1C.CC.CC.[Y]
InChIInChI=1S/C15H24N2.2C2H6.CH4.Y/c1-11(12(2)14-7-5-9-16-14)13(3)15-8-6-10-17(15)4;2*1-2;;/h5-10H2,1-4H3;2*1-2H3;1H4;/b12-11+,15-13+;;;;
InChIKeyVRAMMDSVXFIGLI-XORITSSBSA-N
MW397.46 g/mol
LogP6.24
Rot. Bonds2

About (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium

(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium (PubChem CID 161375571) has the molecular formula C20H40N2Y and a molecular weight of 397.46 g/mol. Its IUPAC name is (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium.

Molecular Properties

Compound Name(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium
PubChem CID161375571
Molecular FormulaC20H40N2Y
Molecular Weight397.46 g/mol
Exact Mass397.22
IUPAC Name(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium
SMILESC.C/C(C1=NCCC1)=C(C)\C(C)=C1/CCCN1C.CC.CC.[Y]
InChIInChI=1S/C15H24N2.2C2H6.CH4.Y/c1-11(12(2)14-7-5-9-16-14)13(3)15-8-6-10-17(15)4;2*1-2;;/h5-10H2,1-4H3;2*1-2H3;1H4;/b12-11+,15-13+;;;;
InChIKeyVRAMMDSVXFIGLI-XORITSSBSA-N
XLogP6.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium?
The IUPAC name of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium (CID 161375571) is (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium.
What is the SMILES notation for (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium?
The canonical SMILES for (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium is C.C/C(C1=NCCC1)=C(C)\C(C)=C1/CCCN1C.CC.CC.[Y].
What is the InChIKey of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium?
The InChIKey is VRAMMDSVXFIGLI-XORITSSBSA-N. The full InChI is InChI=1S/C15H24N2.2C2H6.CH4.Y/c1-11(12(2)14-7-5-9-16-14)13(3)15-8-6-10-17(15)4;2*1-2;;/h5-10H2,1-4H3;2*1-2H3;1H4;/b12-11+,15-13+;;;;.
What are the key properties of (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium?
(2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium has a molecular weight of 397.46 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylpent-3-en-2-ylidene]-1-methylpyrrolidine;ethane;methane;yttrium is sourced from PubChem (CID 161375571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).