(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide

C11H19N3O2 — CID 137034909

IUPAC(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide
SMILESCCN(CC)C(=O)/C(C1=NCCN1)=C(/C)O
InChIInChI=1S/C11H19N3O2/c1-4-14(5-2)11(16)9(8(3)15)10-12-6-7-13-10/h15H,4-7H2,1-3H3,(H,12,13)/b9-8-
InChIKeyQZDUYHUSCWRUHL-HJWRWDBZSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds4

About (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide

(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide (PubChem CID 137034909) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide
PubChem CID137034909
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide
SMILESCCN(CC)C(=O)/C(C1=NCCN1)=C(/C)O
InChIInChI=1S/C11H19N3O2/c1-4-14(5-2)11(16)9(8(3)15)10-12-6-7-13-10/h15H,4-7H2,1-3H3,(H,12,13)/b9-8-
InChIKeyQZDUYHUSCWRUHL-HJWRWDBZSA-N
XLogP0.69
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide (CID 137034909) is (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide is CCN(CC)C(=O)/C(C1=NCCN1)=C(/C)O.
What is the InChIKey of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide?
The InChIKey is QZDUYHUSCWRUHL-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14(5-2)11(16)9(8(3)15)10-12-6-7-13-10/h15H,4-7H2,1-3H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide?
(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide is sourced from PubChem (CID 137034909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).