(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine

C11H12N2 — CID 134350526

IUPAC(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/N)c1cnccc1C=C
InChIInChI=1S/C11H12N2/c1-3-5-11(12)10-8-13-7-6-9(10)4-2/h3-8H,1-2,12H2/b11-5+
InChIKeyXHXFGIMGWQLWOT-VZUCSPMQSA-N
MW172.23 g/mol
LogP2.21
Rot. Bonds3

About (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine

(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine (PubChem CID 134350526) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine
PubChem CID134350526
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/N)c1cnccc1C=C
InChIInChI=1S/C11H12N2/c1-3-5-11(12)10-8-13-7-6-9(10)4-2/h3-8H,1-2,12H2/b11-5+
InChIKeyXHXFGIMGWQLWOT-VZUCSPMQSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethenyl-3-pyridinyl)ethanol
CID 20741865
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997
1-(4-ethenyl-3-pyridinyl)cyclopropan-1-amine
CID 74891778
4-ethenyl-3-[(Z)-3-methylbut-1-enyl]pyridine
CID 142220960
3-ethenyl-4-methoxypyridine
CID 56972695
4-ethenyl-3-(2-phenylethenyl)pyridine
CID 66674858
4-[2,5-bis(ethenyl)-4-(3-ethenyl-4-pyridinyl)phenyl]-3-ethenylpyridine
CID 102110528
(2E,4Z)-N'-(3-ethenyl-4-pyridinyl)-2-methylhexa-2,4-dienimidamide
CID 126499757
3-ethenyl-4-[(E)-2-methoxyethenyl]pyridine
CID 143895761
3-[[(2E)-2-ethenylpenta-2,4-dienylidene]amino]pyridin-4-amine
CID 144573058
4-[(E)-2-phenylprop-1-enyl]pyridine-3-carboxamide
CID 13464007
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine (CID 134350526) is (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine is C=C/C=C(/N)c1cnccc1C=C.
What is the InChIKey of (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine?
The InChIKey is XHXFGIMGWQLWOT-VZUCSPMQSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-5-11(12)10-8-13-7-6-9(10)4-2/h3-8H,1-2,12H2/b11-5+.
What are the key properties of (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine?
(1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine has a molecular weight of 172.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(4-ethenyl-3-pyridinyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 134350526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).