(2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane

C14H22N2O — CID 145351235

IUPAC(2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane
SMILESC=C/C=c1/c(=O)cc(CN)n(C)/c1=C/C.CC
InChIInChI=1S/C12H16N2O.C2H6/c1-4-6-10-11(5-2)14(3)9(8-13)7-12(10)15;1-2/h4-7H,1,8,13H2,2-3H3;1-2H3/b10-6+,11-5+;
InChIKeyRHLFQWFLKWPCJB-KVHHTJRESA-N
MW234.34 g/mol
LogP0.64
Rot. Bonds2

About (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane

(2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane (PubChem CID 145351235) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane.

Molecular Properties

Compound Name(2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane
PubChem CID145351235
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane
SMILESC=C/C=c1/c(=O)cc(CN)n(C)/c1=C/C.CC
InChIInChI=1S/C12H16N2O.C2H6/c1-4-6-10-11(5-2)14(3)9(8-13)7-12(10)15;1-2/h4-7H,1,8,13H2,2-3H3;1-2H3/b10-6+,11-5+;
InChIKeyRHLFQWFLKWPCJB-KVHHTJRESA-N
XLogP0.64
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane?
The IUPAC name of (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane (CID 145351235) is (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane.
What is the SMILES notation for (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane?
The canonical SMILES for (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane is C=C/C=c1/c(=O)cc(CN)n(C)/c1=C/C.CC.
What is the InChIKey of (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane?
The InChIKey is RHLFQWFLKWPCJB-KVHHTJRESA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-4-6-10-11(5-2)14(3)9(8-13)7-12(10)15;1-2/h4-7H,1,8,13H2,2-3H3;1-2H3/b10-6+,11-5+;.
What are the key properties of (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane?
(2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane has a molecular weight of 234.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-6-(aminomethyl)-2-ethylidene-1-methyl-3-prop-2-enylidenepyridin-4-one;ethane is sourced from PubChem (CID 145351235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).