(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine

C9H13N — CID 138645597

IUPAC(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine
SMILESC=C/C=C\C=C1/CCNC1
InChIInChI=1S/C9H13N/c1-2-3-4-5-9-6-7-10-8-9/h2-5,10H,1,6-8H2/b4-3-,9-5+
InChIKeyXCQKMMACBPSVPW-XBURUKCPSA-N
MW135.21 g/mol
LogP1.65
Rot. Bonds2

About (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine

(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine (PubChem CID 138645597) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine.

Molecular Properties

Compound Name(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine
PubChem CID138645597
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine
SMILESC=C/C=C\C=C1/CCNC1
InChIInChI=1S/C9H13N/c1-2-3-4-5-9-6-7-10-8-9/h2-5,10H,1,6-8H2/b4-3-,9-5+
InChIKeyXCQKMMACBPSVPW-XBURUKCPSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Propylidenepyrrolidine
CID 79875565
3-Vinyl-3-pyrroline
CID 91227950
3-Methylen-1,2,3,6-tetrahydropyridine
CID 129860157
(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
4-Fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole
CID 143402804
(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
CID 143823865
(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

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
The IUPAC name of (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine (CID 138645597) is (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine.
What is the SMILES notation for (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
The canonical SMILES for (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine is C=C/C=C\C=C1/CCNC1.
What is the InChIKey of (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
The InChIKey is XCQKMMACBPSVPW-XBURUKCPSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-4-5-9-6-7-10-8-9/h2-5,10H,1,6-8H2/b4-3-,9-5+.
What are the key properties of (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine?
(3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine has a molecular weight of 135.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2Z)-penta-2,4-dienylidene]pyrrolidine is sourced from PubChem (CID 138645597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).