1-(2-ethylpyrrol-2-yl)ethanimine

C8H12N2 — CID 57211117

IUPAC1-(2-ethylpyrrol-2-yl)ethanimine
SMILES[H]/N=C(\C)C1(CC)C=CC=N1
InChIInChI=1S/C8H12N2/c1-3-8(7(2)9)5-4-6-10-8/h4-6,9H,3H2,1-2H3/b9-7+
InChIKeyDYKWVEHYCGQBNV-VQHVLOKHSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds2

About 1-(2-ethylpyrrol-2-yl)ethanimine

1-(2-ethylpyrrol-2-yl)ethanimine (PubChem CID 57211117) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(2-ethylpyrrol-2-yl)ethanimine.

Molecular Properties

Compound Name1-(2-ethylpyrrol-2-yl)ethanimine
PubChem CID57211117
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(2-ethylpyrrol-2-yl)ethanimine
SMILES[H]/N=C(\C)C1(CC)C=CC=N1
InChIInChI=1S/C8H12N2/c1-3-8(7(2)9)5-4-6-10-8/h4-6,9H,3H2,1-2H3/b9-7+
InChIKeyDYKWVEHYCGQBNV-VQHVLOKHSA-N
XLogP1.82
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-But-2-enyl-2-ethylpyrrole
CID 57004955
3-(2-Methylpyrrol-2-yl)butan-2-imine
CID 57035429
(Z)-3-methyloct-5-ene-1,7-diimine
CID 90709896
(2Z,5Z)-8-methanimidoyl-N-methylcycloocta-2,5-dien-1-imine
CID 91216602
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
2-Methyl-2-prop-2-enylpyrrole
CID 123365814
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
CID 123743575
(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
CID 123844789
1-N-[(Z)-2-methylpent-3-en-2-yl]propane-1,2-diimine
CID 141810479
2,2-Diethylpyrrole
CID 152215556
(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine
CID 163464894
5-pentan-3-yl-2H-pyrrole
CID 166703308

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrol-2-yl)ethanimine?
The IUPAC name of 1-(2-ethylpyrrol-2-yl)ethanimine (CID 57211117) is 1-(2-ethylpyrrol-2-yl)ethanimine.
What is the SMILES notation for 1-(2-ethylpyrrol-2-yl)ethanimine?
The canonical SMILES for 1-(2-ethylpyrrol-2-yl)ethanimine is [H]/N=C(\C)C1(CC)C=CC=N1.
What is the InChIKey of 1-(2-ethylpyrrol-2-yl)ethanimine?
The InChIKey is DYKWVEHYCGQBNV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8(7(2)9)5-4-6-10-8/h4-6,9H,3H2,1-2H3/b9-7+.
What are the key properties of 1-(2-ethylpyrrol-2-yl)ethanimine?
1-(2-ethylpyrrol-2-yl)ethanimine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrol-2-yl)ethanimine is sourced from PubChem (CID 57211117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).