(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one

C15H19NO — CID 174163471

IUPAC(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one
SMILESC=C/C=c1/cc(CC(C)C)c(=O)[nH]/c1=C/C=C
InChIInChI=1S/C15H19NO/c1-5-7-12-10-13(9-11(3)4)15(17)16-14(12)8-6-2/h5-8,10-11H,1-2,9H2,3-4H3,(H,16,17)/b12-7-,14-8+
InChIKeyDQDYGYXGNUXEIW-FHGRNIPQSA-N
MW229.32 g/mol
LogP1.51
Rot. Bonds4

About (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one

(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one (PubChem CID 174163471) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one.

Molecular Properties

Compound Name(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one
PubChem CID174163471
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one
SMILESC=C/C=c1/cc(CC(C)C)c(=O)[nH]/c1=C/C=C
InChIInChI=1S/C15H19NO/c1-5-7-12-10-13(9-11(3)4)15(17)16-14(12)8-6-2/h5-8,10-11H,1-2,9H2,3-4H3,(H,16,17)/b12-7-,14-8+
InChIKeyDQDYGYXGNUXEIW-FHGRNIPQSA-N
XLogP1.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one?
The IUPAC name of (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one (CID 174163471) is (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one.
What is the SMILES notation for (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one?
The canonical SMILES for (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one is C=C/C=c1/cc(CC(C)C)c(=O)[nH]/c1=C/C=C.
What is the InChIKey of (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one?
The InChIKey is DQDYGYXGNUXEIW-FHGRNIPQSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-7-12-10-13(9-11(3)4)15(17)16-14(12)8-6-2/h5-8,10-11H,1-2,9H2,3-4H3,(H,16,17)/b12-7-,14-8+.
What are the key properties of (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one?
(5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one has a molecular weight of 229.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-3-(2-methylpropyl)-5,6-bis(prop-2-enylidene)pyridin-2-one is sourced from PubChem (CID 174163471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).