(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine

C10H12N2 — CID 166893921

IUPAC(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine
SMILESC=c1ccnc(N)/c1=C/C=C\C
InChIInChI=1S/C10H12N2/c1-3-4-5-9-8(2)6-7-12-10(9)11/h3-7H,2H2,1H3,(H2,11,12)/b4-3-,9-5+
InChIKeyOMXSELKSQKRUCW-XBURUKCPSA-N
MW160.22 g/mol
LogP0.43
Rot. Bonds1

About (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine

(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine (PubChem CID 166893921) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine
PubChem CID166893921
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine
SMILESC=c1ccnc(N)/c1=C/C=C\C
InChIInChI=1S/C10H12N2/c1-3-4-5-9-8(2)6-7-12-10(9)11/h3-7H,2H2,1H3,(H2,11,12)/b4-3-,9-5+
InChIKeyOMXSELKSQKRUCW-XBURUKCPSA-N
XLogP0.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine (CID 166893921) is (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine is C=c1ccnc(N)/c1=C/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine?
The InChIKey is OMXSELKSQKRUCW-XBURUKCPSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-4-5-9-8(2)6-7-12-10(9)11/h3-7H,2H2,1H3,(H2,11,12)/b4-3-,9-5+.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine?
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine has a molecular weight of 160.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine is sourced from PubChem (CID 166893921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).