1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide

C9H15N3O2 — CID 175000829

IUPAC1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC.O=C1CN=CN1
InChIInChI=1S/C6H11NO.C3H4N2O/c1-4-7-6(8)5(2)3;6-3-1-4-2-5-3/h2,4H2,1,3H3,(H,7,8);2H,1H2,(H,4,5,6)
InChIKeyCTDYJYAGOGAKCX-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.16
Rot. Bonds2

About 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide

1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide (PubChem CID 175000829) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound Name1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide
PubChem CID175000829
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC.O=C1CN=CN1
InChIInChI=1S/C6H11NO.C3H4N2O/c1-4-7-6(8)5(2)3;6-3-1-4-2-5-3/h2,4H2,1,3H3,(H,7,8);2H,1H2,(H,4,5,6)
InChIKeyCTDYJYAGOGAKCX-UHFFFAOYSA-N
XLogP-0.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.16
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 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide?
The IUPAC name of 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide (CID 175000829) is 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide.
What is the SMILES notation for 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide?
The canonical SMILES for 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide is C=C(C)C(=O)NCC.O=C1CN=CN1.
What is the InChIKey of 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide?
The InChIKey is CTDYJYAGOGAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H4N2O/c1-4-7-6(8)5(2)3;6-3-1-4-2-5-3/h2,4H2,1,3H3,(H,7,8);2H,1H2,(H,4,5,6).
What are the key properties of 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide?
1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide has a molecular weight of 197.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazol-5-one;N-ethyl-2-methylprop-2-enamide is sourced from PubChem (CID 175000829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).