(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine

C9H13N — CID 143039515

IUPAC(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine
SMILESC=C1CNC/C1=C/C=C\C
InChIInChI=1S/C9H13N/c1-3-4-5-9-7-10-6-8(9)2/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5-
InChIKeyKCMVFRKMUVXHSD-YSXYLNKBSA-N
MW135.21 g/mol
LogP1.65
Rot. Bonds1

About (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine

(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine (PubChem CID 143039515) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine
PubChem CID143039515
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine
SMILESC=C1CNC/C1=C/C=C\C
InChIInChI=1S/C9H13N/c1-3-4-5-9-7-10-6-8(9)2/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5-
InChIKeyKCMVFRKMUVXHSD-YSXYLNKBSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.65
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 (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine (CID 143039515) is (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine is C=C1CNC/C1=C/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine?
The InChIKey is KCMVFRKMUVXHSD-YSXYLNKBSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-5-9-7-10-6-8(9)2/h3-5,10H,2,6-7H2,1H3/b4-3-,9-5-.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine?
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine has a molecular weight of 135.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidine is sourced from PubChem (CID 143039515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).