2-hex-2-enylidene-1-methylpyrimidine

C11H16N2 — CID 123225838

IUPAC2-hex-2-enylidene-1-methylpyrimidine
SMILESCCCC=CC=C1N=CC=CN1C
InChIInChI=1S/C11H16N2/c1-3-4-5-6-8-11-12-9-7-10-13(11)2/h5-10H,3-4H2,1-2H3
InChIKeyKGYKTTJZKQEMLF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About 2-hex-2-enylidene-1-methylpyrimidine

2-hex-2-enylidene-1-methylpyrimidine (PubChem CID 123225838) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-hex-2-enylidene-1-methylpyrimidine.

Molecular Properties

Compound Name2-hex-2-enylidene-1-methylpyrimidine
PubChem CID123225838
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-hex-2-enylidene-1-methylpyrimidine
SMILESCCCC=CC=C1N=CC=CN1C
InChIInChI=1S/C11H16N2/c1-3-4-5-6-8-11-12-9-7-10-13(11)2/h5-10H,3-4H2,1-2H3
InChIKeyKGYKTTJZKQEMLF-UHFFFAOYSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hex-2-enylidene-1-methylpyrimidine?
The IUPAC name of 2-hex-2-enylidene-1-methylpyrimidine (CID 123225838) is 2-hex-2-enylidene-1-methylpyrimidine.
What is the SMILES notation for 2-hex-2-enylidene-1-methylpyrimidine?
The canonical SMILES for 2-hex-2-enylidene-1-methylpyrimidine is CCCC=CC=C1N=CC=CN1C.
What is the InChIKey of 2-hex-2-enylidene-1-methylpyrimidine?
The InChIKey is KGYKTTJZKQEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-4-5-6-8-11-12-9-7-10-13(11)2/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-hex-2-enylidene-1-methylpyrimidine?
2-hex-2-enylidene-1-methylpyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-enylidene-1-methylpyrimidine is sourced from PubChem (CID 123225838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).