N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide

C14H18N4O — CID 145096977

IUPACN-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide
SMILESC=Cc1nc(C)n(CC(=O)/N=C(N)/C=C\C)c1C=C
InChIInChI=1S/C14H18N4O/c1-5-8-13(15)17-14(19)9-18-10(4)16-11(6-2)12(18)7-3/h5-8H,2-3,9H2,1,4H3,(H2,15,17,19)/b8-5-
InChIKeyJJZMPWDZXIAVKN-YVMONPNESA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds5

About N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide

N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide (PubChem CID 145096977) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide
PubChem CID145096977
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide
SMILESC=Cc1nc(C)n(CC(=O)/N=C(N)/C=C\C)c1C=C
InChIInChI=1S/C14H18N4O/c1-5-8-13(15)17-14(19)9-18-10(4)16-11(6-2)12(18)7-3/h5-8H,2-3,9H2,1,4H3,(H2,15,17,19)/b8-5-
InChIKeyJJZMPWDZXIAVKN-YVMONPNESA-N
XLogP1.94
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide?
The IUPAC name of N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide (CID 145096977) is N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide?
The canonical SMILES for N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide is C=Cc1nc(C)n(CC(=O)/N=C(N)/C=C\C)c1C=C.
What is the InChIKey of N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide?
The InChIKey is JJZMPWDZXIAVKN-YVMONPNESA-N. The full InChI is InChI=1S/C14H18N4O/c1-5-8-13(15)17-14(19)9-18-10(4)16-11(6-2)12(18)7-3/h5-8H,2-3,9H2,1,4H3,(H2,15,17,19)/b8-5-.
What are the key properties of N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide?
N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-aminobut-2-enylidene]-2-[4,5-bis(ethenyl)-2-methylimidazol-1-yl]acetamide is sourced from PubChem (CID 145096977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).