(2E)-2-but-3-en-2-ylidene-1H-pyrimidine

C8H10N2 — CID 88579811

IUPAC(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
SMILESC=C/C(C)=C1/N=CC=CN1
InChIInChI=1S/C8H10N2/c1-3-7(2)8-9-5-4-6-10-8/h3-6,9H,1H2,2H3/b8-7+
InChIKeyVOYIAWGKARAIBK-BQYQJAHWSA-N
MW134.18 g/mol
LogP1.59
Rot. Bonds1

About (2E)-2-but-3-en-2-ylidene-1H-pyrimidine

(2E)-2-but-3-en-2-ylidene-1H-pyrimidine (PubChem CID 88579811) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E)-2-but-3-en-2-ylidene-1H-pyrimidine.

Molecular Properties

Compound Name(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
PubChem CID88579811
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
SMILESC=C/C(C)=C1/N=CC=CN1
InChIInChI=1S/C8H10N2/c1-3-7(2)8-9-5-4-6-10-8/h3-6,9H,1H2,2H3/b8-7+
InChIKeyVOYIAWGKARAIBK-BQYQJAHWSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-but-3-en-2-ylidene-1H-pyrimidine?
The IUPAC name of (2E)-2-but-3-en-2-ylidene-1H-pyrimidine (CID 88579811) is (2E)-2-but-3-en-2-ylidene-1H-pyrimidine.
What is the SMILES notation for (2E)-2-but-3-en-2-ylidene-1H-pyrimidine?
The canonical SMILES for (2E)-2-but-3-en-2-ylidene-1H-pyrimidine is C=C/C(C)=C1/N=CC=CN1.
What is the InChIKey of (2E)-2-but-3-en-2-ylidene-1H-pyrimidine?
The InChIKey is VOYIAWGKARAIBK-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7(2)8-9-5-4-6-10-8/h3-6,9H,1H2,2H3/b8-7+.
What are the key properties of (2E)-2-but-3-en-2-ylidene-1H-pyrimidine?
(2E)-2-but-3-en-2-ylidene-1H-pyrimidine has a molecular weight of 134.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-but-3-en-2-ylidene-1H-pyrimidine is sourced from PubChem (CID 88579811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).