4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide

C8H15N3O — CID 161035467

IUPAC4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide
SMILESC1=NCCN1.C=CC(=O)NCC
InChIInChI=1S/C5H9NO.C3H6N2/c1-3-5(7)6-4-2;1-2-5-3-4-1/h3H,1,4H2,2H3,(H,6,7);3H,1-2H2,(H,4,5)
InChIKeyUAEQZACCXHCEIK-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.07
Rot. Bonds2

About 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide

4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide (PubChem CID 161035467) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide
PubChem CID161035467
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide
SMILESC1=NCCN1.C=CC(=O)NCC
InChIInChI=1S/C5H9NO.C3H6N2/c1-3-5(7)6-4-2;1-2-5-3-4-1/h3H,1,4H2,2H3,(H,6,7);3H,1-2H2,(H,4,5)
InChIKeyUAEQZACCXHCEIK-UHFFFAOYSA-N
XLogP-0.07
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide?
The IUPAC name of 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide (CID 161035467) is 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide?
The canonical SMILES for 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide is C1=NCCN1.C=CC(=O)NCC.
What is the InChIKey of 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide?
The InChIKey is UAEQZACCXHCEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H6N2/c1-3-5(7)6-4-2;1-2-5-3-4-1/h3H,1,4H2,2H3,(H,6,7);3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide?
4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide has a molecular weight of 169.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;N-ethylprop-2-enamide is sourced from PubChem (CID 161035467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).