(4E)-4-ethylidene-2,3-dihydropyrrole

C6H9N — CID 57331316

IUPAC(4E)-4-ethylidene-2,3-dihydropyrrole
SMILESC/C=C1/C=NCC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,5H,3-4H2,1H3/b6-2+
InChIKeyLRZBHWOSUISCSV-QHHAFSJGSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds

About (4E)-4-ethylidene-2,3-dihydropyrrole

(4E)-4-ethylidene-2,3-dihydropyrrole (PubChem CID 57331316) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (4E)-4-ethylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4E)-4-ethylidene-2,3-dihydropyrrole
PubChem CID57331316
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(4E)-4-ethylidene-2,3-dihydropyrrole
SMILESC/C=C1/C=NCC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,5H,3-4H2,1H3/b6-2+
InChIKeyLRZBHWOSUISCSV-QHHAFSJGSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683
(E)-N-methyl-2-(trifluoromethyl)pent-2-en-1-imine
CID 174333816
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
2-fluoro-6-methyl-3,4-dihydro-2H-azepine
CID 143418491

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-2,3-dihydropyrrole?
The IUPAC name of (4E)-4-ethylidene-2,3-dihydropyrrole (CID 57331316) is (4E)-4-ethylidene-2,3-dihydropyrrole.
What is the SMILES notation for (4E)-4-ethylidene-2,3-dihydropyrrole?
The canonical SMILES for (4E)-4-ethylidene-2,3-dihydropyrrole is C/C=C1/C=NCC1.
What is the InChIKey of (4E)-4-ethylidene-2,3-dihydropyrrole?
The InChIKey is LRZBHWOSUISCSV-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,5H,3-4H2,1H3/b6-2+.
What are the key properties of (4E)-4-ethylidene-2,3-dihydropyrrole?
(4E)-4-ethylidene-2,3-dihydropyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2,3-dihydropyrrole is sourced from PubChem (CID 57331316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).