(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one

C10H13NO — CID 144634156

IUPAC(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
SMILESC/C=c1/[nH]c(C)cc(=O)/c1=C/C
InChIInChI=1S/C10H13NO/c1-4-8-9(5-2)11-7(3)6-10(8)12/h4-6,11H,1-3H3/b8-4+,9-5+
InChIKeyXDMFXEKQEGTMIY-KBXRYBNXSA-N
MW163.22 g/mol
LogP0.28
Rot. Bonds

About (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one

(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one (PubChem CID 144634156) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
PubChem CID144634156
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
SMILESC/C=c1/[nH]c(C)cc(=O)/c1=C/C
InChIInChI=1S/C10H13NO/c1-4-8-9(5-2)11-7(3)6-10(8)12/h4-6,11H,1-3H3/b8-4+,9-5+
InChIKeyXDMFXEKQEGTMIY-KBXRYBNXSA-N
XLogP0.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-di(ethylidene)-5-methyl-1H-pyrrole
CID 123884571
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
3-fluoro-2,6-dimethyl-1H-pyridin-4-one
CID 24971814
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
CID 167284347
2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
CID 605476
(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole
CID 142103402
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
2,3-dichloro-5-methyl-1H-pyrrole
CID 18918860
3-(aminomethyl)-2,6-dimethyl-1H-pyridin-4-one
CID 81051110
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one?
The IUPAC name of (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one (CID 144634156) is (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one is C/C=c1/[nH]c(C)cc(=O)/c1=C/C.
What is the InChIKey of (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one?
The InChIKey is XDMFXEKQEGTMIY-KBXRYBNXSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-8-9(5-2)11-7(3)6-10(8)12/h4-6,11H,1-3H3/b8-4+,9-5+.
What are the key properties of (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one?
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 144634156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).