(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one

C15H15NO — CID 169153002

IUPAC(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
SMILESC=C/C=c1/c(=O)c(C)c2ccccn2/c1=C/C
InChIInChI=1S/C15H15NO/c1-4-8-12-13(5-2)16-10-7-6-9-14(16)11(3)15(12)17/h4-10H,1H2,2-3H3/b12-8+,13-5+
InChIKeyBGTINJRBVVJHPI-NVKJMBTPSA-N
MW225.29 g/mol
LogP1.37
Rot. Bonds1

About (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one

(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one (PubChem CID 169153002) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one.

Molecular Properties

Compound Name(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
PubChem CID169153002
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
SMILESC=C/C=c1/c(=O)c(C)c2ccccn2/c1=C/C
InChIInChI=1S/C15H15NO/c1-4-8-12-13(5-2)16-10-7-6-9-14(16)11(3)15(12)17/h4-10H,1H2,2-3H3/b12-8+,13-5+
InChIKeyBGTINJRBVVJHPI-NVKJMBTPSA-N
XLogP1.37
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
The IUPAC name of (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one (CID 169153002) is (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one.
What is the SMILES notation for (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
The canonical SMILES for (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one is C=C/C=c1/c(=O)c(C)c2ccccn2/c1=C/C.
What is the InChIKey of (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
The InChIKey is BGTINJRBVVJHPI-NVKJMBTPSA-N. The full InChI is InChI=1S/C15H15NO/c1-4-8-12-13(5-2)16-10-7-6-9-14(16)11(3)15(12)17/h4-10H,1H2,2-3H3/b12-8+,13-5+.
What are the key properties of (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one is sourced from PubChem (CID 169153002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).