methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine

C9H15N — CID 142442055

IUPACmethane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine
SMILESC.C=C/C=C1/CNCC1=C
InChIInChI=1S/C8H11N.CH4/c1-3-4-8-6-9-5-7(8)2;/h3-4,9H,1-2,5-6H2;1H4/b8-4-;
InChIKeyKIYAKMTWOXESQJ-ZYFYRQFPSA-N
MW137.23 g/mol
LogP1.89
Rot. Bonds1

About methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine

methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine (PubChem CID 142442055) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine.

Molecular Properties

Compound Namemethane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine
PubChem CID142442055
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Namemethane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine
SMILESC.C=C/C=C1/CNCC1=C
InChIInChI=1S/C8H11N.CH4/c1-3-4-8-6-9-5-7(8)2;/h3-4,9H,1-2,5-6H2;1H4/b8-4-;
InChIKeyKIYAKMTWOXESQJ-ZYFYRQFPSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Propylidenepyrrolidine
CID 79875565
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
CID 143402727
(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 143823865
3-methyl-4-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]-2,5-dihydro-1H-pyrrole
CID 145278560
(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidin-1-ium
CID 145417314
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidin-1-ium
CID 145417326
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 145417327
3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 156749647
3-methyl-4-[(2E)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]-2,5-dihydro-1H-pyrrole
CID 165410627
(2Z)-2-(1-fluoroethyl)-N-propylpenta-2,4-dien-1-amine
CID 169885539

Frequently Asked Questions

What is the IUPAC name of methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine?
The IUPAC name of methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine (CID 142442055) is methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine.
What is the SMILES notation for methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine?
The canonical SMILES for methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine is C.C=C/C=C1/CNCC1=C.
What is the InChIKey of methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine?
The InChIKey is KIYAKMTWOXESQJ-ZYFYRQFPSA-N. The full InChI is InChI=1S/C8H11N.CH4/c1-3-4-8-6-9-5-7(8)2;/h3-4,9H,1-2,5-6H2;1H4/b8-4-;.
What are the key properties of methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine?
methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4E)-3-methylidene-4-prop-2-enylidenepyrrolidine is sourced from PubChem (CID 142442055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).