(E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide

C7H11N3O2 — CID 137159990

IUPAC(E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C(N)=O)C1=NCCN1
InChIInChI=1S/C7H11N3O2/c1-4(11)5(6(8)12)7-9-2-3-10-7/h11H,2-3H2,1H3,(H2,8,12)(H,9,10)/b5-4-
InChIKeyVBOSABPWKORDJB-PLNGDYQASA-N
MW169.18 g/mol
LogP-0.69
Rot. Bonds2

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

(E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide (PubChem CID 137159990) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide
PubChem CID137159990
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide
SMILESC/C(O)=C(\C(N)=O)C1=NCCN1
InChIInChI=1S/C7H11N3O2/c1-4(11)5(6(8)12)7-9-2-3-10-7/h11H,2-3H2,1H3,(H2,8,12)(H,9,10)/b5-4-
InChIKeyVBOSABPWKORDJB-PLNGDYQASA-N
XLogP-0.69
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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 (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide?
The IUPAC name of (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide (CID 137159990) is (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide.
What is the SMILES notation for (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide?
The canonical SMILES for (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide is C/C(O)=C(\C(N)=O)C1=NCCN1.
What is the InChIKey of (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide?
The InChIKey is VBOSABPWKORDJB-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(11)5(6(8)12)7-9-2-3-10-7/h11H,2-3H2,1H3,(H2,8,12)(H,9,10)/b5-4-.
What are the key properties of (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide?
(E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide has a molecular weight of 169.18 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxybut-2-enamide is sourced from PubChem (CID 137159990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).