(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine

C12H20N2 — CID 164552182

IUPAC(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C=CN\1C(CC)CCC
InChIInChI=1S/C12H20N2/c1-4-7-11(6-3)14-9-8-10(5-2)12(14)13/h5,8-9,11,13H,4,6-7H2,1-3H3/b10-5-,13-12+
InChIKeyARGCGHDGWWAIRC-FCHMPZTMSA-N
MW192.31 g/mol
LogP3.32
Rot. Bonds4

About (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine

(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine (PubChem CID 164552182) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine
PubChem CID164552182
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C=CN\1C(CC)CCC
InChIInChI=1S/C12H20N2/c1-4-7-11(6-3)14-9-8-10(5-2)12(14)13/h5,8-9,11,13H,4,6-7H2,1-3H3/b10-5-,13-12+
InChIKeyARGCGHDGWWAIRC-FCHMPZTMSA-N
XLogP3.32
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-ethylidene-1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]pyrrol-2-imine
CID 178081162
(3Z)-3-[(Z)-but-2-enylidene]-1-methylpyrrol-2-imine
CID 90151974
1-[2,5-Bis(ethenyl)pyrrolidin-1-yl]-2-methylbut-2-en-1-imine
CID 123635820
1-Cyclopentyl-4-methyl-3-methylidenepyrrol-2-imine
CID 123803889
3-Methyl-1-propan-2-ylpyridin-2-imine
CID 146488061
1-[(4Z)-4-ethylidene-1-hexan-3-yl-5-iminopyrrol-2-yl]-N,N-dimethylethenamine
CID 155735654
ethane;(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine
CID 164552181
(3Z)-N-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrol-2-imine
CID 178009396
1-Cyclopentyl-5-methyl-3-methylidenepyrrol-2-imine
CID 153630476
4-Methyl-1-octylpyridin-2-imine
CID 159310264
(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine
CID 178005420

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine?
The IUPAC name of (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine (CID 164552182) is (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine is [H]/N=C1C(=C/C)\C=CN\1C(CC)CCC.
What is the InChIKey of (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine?
The InChIKey is ARGCGHDGWWAIRC-FCHMPZTMSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-11(6-3)14-9-8-10(5-2)12(14)13/h5,8-9,11,13H,4,6-7H2,1-3H3/b10-5-,13-12+.
What are the key properties of (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine?
(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine has a molecular weight of 192.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine is sourced from PubChem (CID 164552182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).