(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole

C15H19NO — CID 45098059

IUPAC(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole
SMILESCCOc1ccc(/C(C)=C2\CCN=C2C)cc1
InChIInChI=1S/C15H19NO/c1-4-17-14-7-5-13(6-8-14)11(2)15-9-10-16-12(15)3/h5-8H,4,9-10H2,1-3H3/b15-11+
InChIKeyQZYRWIHNDVYZLV-RVDMUPIBSA-N
MW229.32 g/mol
LogP3.72
Rot. Bonds3

About (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole

(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole (PubChem CID 45098059) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole
PubChem CID45098059
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole
SMILESCCOc1ccc(/C(C)=C2\CCN=C2C)cc1
InChIInChI=1S/C15H19NO/c1-4-17-14-7-5-13(6-8-14)11(2)15-9-10-16-12(15)3/h5-8H,4,9-10H2,1-3H3/b15-11+
InChIKeyQZYRWIHNDVYZLV-RVDMUPIBSA-N
XLogP3.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-1-methyl-3,4-dihydroisoquinoline
CID 3029059
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione
CID 892521
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
4-ethoxy-N,N-dimethylaniline
CID 3624890
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
1-(4-ethoxyphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone
CID 154774512
1-but-1-en-2-yl-4-ethoxybenzene
CID 129179740
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
1-(4-ethoxyphenyl)ethenamine
CID 129289710
[2-(4-ethoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358295

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole?
The IUPAC name of (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole (CID 45098059) is (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole.
What is the SMILES notation for (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole?
The canonical SMILES for (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole is CCOc1ccc(/C(C)=C2\CCN=C2C)cc1.
What is the InChIKey of (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole?
The InChIKey is QZYRWIHNDVYZLV-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-17-14-7-5-13(6-8-14)11(2)15-9-10-16-12(15)3/h5-8H,4,9-10H2,1-3H3/b15-11+.
What are the key properties of (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole?
(4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[1-(4-ethoxyphenyl)ethylidene]-5-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 45098059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).