(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine

C12H12N2 — CID 142221947

IUPAC(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine
SMILESC=C/C=c1/c(C#CC)c(N)ncc1=C
InChIInChI=1S/C12H12N2/c1-4-6-10-9(3)8-14-12(13)11(10)7-5-2/h4,6,8H,1,3,13H2,2H3/b10-6+
InChIKeyHGYCPECSIKOYPK-UXBLZVDNSA-N
MW184.24 g/mol
LogP0.41
Rot. Bonds1

About (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine

(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine (PubChem CID 142221947) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine.

Molecular Properties

Compound Name(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine
PubChem CID142221947
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine
SMILESC=C/C=c1/c(C#CC)c(N)ncc1=C
InChIInChI=1S/C12H12N2/c1-4-6-10-9(3)8-14-12(13)11(10)7-5-2/h4,6,8H,1,3,13H2,2H3/b10-6+
InChIKeyHGYCPECSIKOYPK-UXBLZVDNSA-N
XLogP0.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
The IUPAC name of (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine (CID 142221947) is (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine.
What is the SMILES notation for (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
The canonical SMILES for (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine is C=C/C=c1/c(C#CC)c(N)ncc1=C.
What is the InChIKey of (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
The InChIKey is HGYCPECSIKOYPK-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H12N2/c1-4-6-10-9(3)8-14-12(13)11(10)7-5-2/h4,6,8H,1,3,13H2,2H3/b10-6+.
What are the key properties of (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine?
(4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine has a molecular weight of 184.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-prop-2-enylidene-3-prop-1-ynylpyridin-2-amine is sourced from PubChem (CID 142221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).