(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine

C12H14N2 — CID 155689301

IUPAC(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine
SMILESC=CNC1=NC=C/C1=C\C(C=C)=C\C
InChIInChI=1S/C12H14N2/c1-4-10(5-2)9-11-7-8-14-12(11)13-6-3/h4-9H,1,3H2,2H3,(H,13,14)/b10-5+,11-9+
InChIKeyDGTUVDLPEOVKFS-WTIVLTGYSA-N
MW186.26 g/mol
LogP2.70
Rot. Bonds3

About (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine

(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine (PubChem CID 155689301) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine.

Molecular Properties

Compound Name(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine
PubChem CID155689301
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine
SMILESC=CNC1=NC=C/C1=C\C(C=C)=C\C
InChIInChI=1S/C12H14N2/c1-4-10(5-2)9-11-7-8-14-12(11)13-6-3/h4-9H,1,3H2,2H3,(H,13,14)/b10-5+,11-9+
InChIKeyDGTUVDLPEOVKFS-WTIVLTGYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine 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

5,6-Dihydro-7-azaindole
CID 70639991
(Z)-2-[1-[[(2E)-1-amino-2-fluoro-4-methylpenta-2,4-dienylidene]amino]propan-2-yl]-N-ethenyl-N'-methylpent-2-enimidamide
CID 124016420
(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
(3Z)-3-ethylidene-N-(fluoromethyl)-1H-pyrrol-2-imine
CID 173891209
6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142308840
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
1,2-Dihydroimidazol-2-ide;2-methylcyclopenta-1,3-diene;ruthenium(2+)
CID 87611518
1-Methyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 89012886
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile
CID 89293977

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine?
The IUPAC name of (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine (CID 155689301) is (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine.
What is the SMILES notation for (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine?
The canonical SMILES for (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine is C=CNC1=NC=C/C1=C\C(C=C)=C\C.
What is the InChIKey of (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine?
The InChIKey is DGTUVDLPEOVKFS-WTIVLTGYSA-N. The full InChI is InChI=1S/C12H14N2/c1-4-10(5-2)9-11-7-8-14-12(11)13-6-3/h4-9H,1,3H2,2H3,(H,13,14)/b10-5+,11-9+.
What are the key properties of (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine?
(3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine has a molecular weight of 186.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenyl-3-[(E)-2-ethenylbut-2-enylidene]pyrrol-2-amine is sourced from PubChem (CID 155689301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).