(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide

C13H18N2O — CID 170211815

IUPAC(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide
SMILESC=C/C(C(=O)NC)=C(C=C)\C(=C/C)\N=C\C
InChIInChI=1S/C13H18N2O/c1-6-10(12(8-3)15-9-4)11(7-2)13(16)14-5/h6-9H,1-2H2,3-5H3,(H,14,16)/b11-10+,12-8+,15-9+
InChIKeyPFQIIURXIDPXNT-UTGFHPTPSA-N
MW218.30 g/mol
LogP2.40
Rot. Bonds5

About (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide

(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide (PubChem CID 170211815) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide
PubChem CID170211815
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide
SMILESC=C/C(C(=O)NC)=C(C=C)\C(=C/C)\N=C\C
InChIInChI=1S/C13H18N2O/c1-6-10(12(8-3)15-9-4)11(7-2)13(16)14-5/h6-9H,1-2H2,3-5H3,(H,14,16)/b11-10+,12-8+,15-9+
InChIKeyPFQIIURXIDPXNT-UTGFHPTPSA-N
XLogP2.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide (CID 170211815) is (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide is C=C/C(C(=O)NC)=C(C=C)\C(=C/C)\N=C\C.
What is the InChIKey of (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide?
The InChIKey is PFQIIURXIDPXNT-UTGFHPTPSA-N. The full InChI is InChI=1S/C13H18N2O/c1-6-10(12(8-3)15-9-4)11(7-2)13(16)14-5/h6-9H,1-2H2,3-5H3,(H,14,16)/b11-10+,12-8+,15-9+.
What are the key properties of (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide?
(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide has a molecular weight of 218.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide is sourced from PubChem (CID 170211815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).