ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one

C12H17NO — CID 142823520

IUPACethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
SMILESC=C/C=c1/c(=O)cc[nH]/c1=C/C.CC
InChIInChI=1S/C10H11NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10(8)12;1-2/h3-7,11H,1H2,2H3;1-2H3/b8-5+,9-4+;
InChIKeyOBYIWCYWTHEKMQ-YKAKIOLUSA-N
MW191.27 g/mol
LogP1.17
Rot. Bonds1

About ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one

ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one (PubChem CID 142823520) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
PubChem CID142823520
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
SMILESC=C/C=c1/c(=O)cc[nH]/c1=C/C.CC
InChIInChI=1S/C10H11NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10(8)12;1-2/h3-7,11H,1H2,2H3;1-2H3/b8-5+,9-4+;
InChIKeyOBYIWCYWTHEKMQ-YKAKIOLUSA-N
XLogP1.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one (CID 142823520) is ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one is C=C/C=c1/c(=O)cc[nH]/c1=C/C.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one?
The InChIKey is OBYIWCYWTHEKMQ-YKAKIOLUSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-3-5-8-9(4-2)11-7-6-10(8)12;1-2/h3-7,11H,1H2,2H3;1-2H3/b8-5+,9-4+;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one?
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one has a molecular weight of 191.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one is sourced from PubChem (CID 142823520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).