N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide

C15H19N3O — CID 166966639

IUPACN-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide
SMILESC=C/C=C\C(=C/C=C)C(Cn1ccnc1)NC(C)=O
InChIInChI=1S/C15H19N3O/c1-4-6-8-14(7-5-2)15(17-13(3)19)11-18-10-9-16-12-18/h4-10,12,15H,1-2,11H2,3H3,(H,17,19)/b8-6-,14-7+
InChIKeyWHXDPGDCMNDEMT-VGVFFUEXSA-N
MW257.34 g/mol
LogP2.24
Rot. Bonds7

About N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide

N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide (PubChem CID 166966639) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide
PubChem CID166966639
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide
SMILESC=C/C=C\C(=C/C=C)C(Cn1ccnc1)NC(C)=O
InChIInChI=1S/C15H19N3O/c1-4-6-8-14(7-5-2)15(17-13(3)19)11-18-10-9-16-12-18/h4-10,12,15H,1-2,11H2,3H3,(H,17,19)/b8-6-,14-7+
InChIKeyWHXDPGDCMNDEMT-VGVFFUEXSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide?
The IUPAC name of N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide (CID 166966639) is N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide.
What is the SMILES notation for N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide?
The canonical SMILES for N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide is C=C/C=C\C(=C/C=C)C(Cn1ccnc1)NC(C)=O.
What is the InChIKey of N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide?
The InChIKey is WHXDPGDCMNDEMT-VGVFFUEXSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-6-8-14(7-5-2)15(17-13(3)19)11-18-10-9-16-12-18/h4-10,12,15H,1-2,11H2,3H3,(H,17,19)/b8-6-,14-7+.
What are the key properties of N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide?
N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,4Z)-1-imidazol-1-yl-3-prop-2-enylidenehepta-4,6-dien-2-yl]acetamide is sourced from PubChem (CID 166966639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).