(2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole

C22H35N — CID 129236705

IUPAC(2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole
SMILESC=C(CCC1(CCC)CCCC1)C1=CN/C(=C/C(C)=C\CC)C1
InChIInChI=1S/C22H35N/c1-5-9-18(3)15-21-16-20(17-23-21)19(4)10-14-22(11-6-2)12-7-8-13-22/h9,15,17,23H,4-8,10-14,16H2,1-3H3/b18-9-,21-15+
InChIKeyJEUBBYVUUYQTKW-DOYXQUMNSA-N
MW313.53 g/mol
LogP6.80
Rot. Bonds8

About (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole

(2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole (PubChem CID 129236705) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole
PubChem CID129236705
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name(2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole
SMILESC=C(CCC1(CCC)CCCC1)C1=CN/C(=C/C(C)=C\CC)C1
InChIInChI=1S/C22H35N/c1-5-9-18(3)15-21-16-20(17-23-21)19(4)10-14-22(11-6-2)12-7-8-13-22/h9,15,17,23H,4-8,10-14,16H2,1-3H3/b18-9-,21-15+
InChIKeyJEUBBYVUUYQTKW-DOYXQUMNSA-N
XLogP6.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole?
The IUPAC name of (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole (CID 129236705) is (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole.
What is the SMILES notation for (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole?
The canonical SMILES for (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole is C=C(CCC1(CCC)CCCC1)C1=CN/C(=C/C(C)=C\CC)C1.
What is the InChIKey of (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole?
The InChIKey is JEUBBYVUUYQTKW-DOYXQUMNSA-N. The full InChI is InChI=1S/C22H35N/c1-5-9-18(3)15-21-16-20(17-23-21)19(4)10-14-22(11-6-2)12-7-8-13-22/h9,15,17,23H,4-8,10-14,16H2,1-3H3/b18-9-,21-15+.
What are the key properties of (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole?
(2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole has a molecular weight of 313.53 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-methylpent-2-enylidene]-4-[4-(1-propylcyclopentyl)but-1-en-2-yl]-1,3-dihydropyrrole is sourced from PubChem (CID 129236705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).