(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide

C15H22N2O — CID 177353615

IUPAC(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide
SMILESC=C(/C=C\C(=C/C)C(=O)N(C)C)C1=CCNCC1
InChIInChI=1S/C15H22N2O/c1-5-13(15(18)17(3)4)7-6-12(2)14-8-10-16-11-9-14/h5-8,16H,2,9-11H2,1,3-4H3/b7-6-,13-5+
InChIKeyFHAQBJUFYGDESX-ZQNRWWJISA-N
MW246.35 g/mol
LogP2.05
Rot. Bonds4

About (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide

(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide (PubChem CID 177353615) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide
PubChem CID177353615
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide
SMILESC=C(/C=C\C(=C/C)C(=O)N(C)C)C1=CCNCC1
InChIInChI=1S/C15H22N2O/c1-5-13(15(18)17(3)4)7-6-12(2)14-8-10-16-11-9-14/h5-8,16H,2,9-11H2,1,3-4H3/b7-6-,13-5+
InChIKeyFHAQBJUFYGDESX-ZQNRWWJISA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide?
The IUPAC name of (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide (CID 177353615) is (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide?
The canonical SMILES for (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide is C=C(/C=C\C(=C/C)C(=O)N(C)C)C1=CCNCC1.
What is the InChIKey of (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide?
The InChIKey is FHAQBJUFYGDESX-ZQNRWWJISA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-13(15(18)17(3)4)7-6-12(2)14-8-10-16-11-9-14/h5-8,16H,2,9-11H2,1,3-4H3/b7-6-,13-5+.
What are the key properties of (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide?
(2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide has a molecular weight of 246.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N,N-dimethyl-5-(1,2,3,6-tetrahydropyridin-4-yl)hexa-3,5-dienamide is sourced from PubChem (CID 177353615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).