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

C12H13NO — CID 134223594

IUPAC(5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one
SMILESC=C/C=c1/cc(C)c(=O)[nH]/c1=C/C=C
InChIInChI=1S/C12H13NO/c1-4-6-10-8-9(3)12(14)13-11(10)7-5-2/h4-8H,1-2H2,3H3,(H,13,14)/b10-6-,11-7+
InChIKeySYOZSOVVMROPRV-NAKBGQTNSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds2

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

(5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one (PubChem CID 134223594) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one.

Molecular Properties

Compound Name(5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one
PubChem CID134223594
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one
SMILESC=C/C=c1/cc(C)c(=O)[nH]/c1=C/C=C
InChIInChI=1S/C12H13NO/c1-4-6-10-8-9(3)12(14)13-11(10)7-5-2/h4-8H,1-2H2,3H3,(H,13,14)/b10-6-,11-7+
InChIKeySYOZSOVVMROPRV-NAKBGQTNSA-N
XLogP0.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one?
The IUPAC name of (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one (CID 134223594) is (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one.
What is the SMILES notation for (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one?
The canonical SMILES for (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one is C=C/C=c1/cc(C)c(=O)[nH]/c1=C/C=C.
What is the InChIKey of (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one?
The InChIKey is SYOZSOVVMROPRV-NAKBGQTNSA-N. The full InChI is InChI=1S/C12H13NO/c1-4-6-10-8-9(3)12(14)13-11(10)7-5-2/h4-8H,1-2H2,3H3,(H,13,14)/b10-6-,11-7+.
What are the key properties of (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one?
(5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one is sourced from PubChem (CID 134223594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).