N-ethyl-2-methylprop-2-enamide;imidazol-2-one

C9H13N3O2 — CID 161410420

IUPACN-ethyl-2-methylprop-2-enamide;imidazol-2-one
SMILESC=C(C)C(=O)NCC.O=C1N=CC=N1
InChIInChI=1S/C6H11NO.C3H2N2O/c1-4-7-6(8)5(2)3;6-3-4-1-2-5-3/h2,4H2,1,3H3,(H,7,8);1-2H
InChIKeyVVJWSKDGVSVXDB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.96
Rot. Bonds2

About N-ethyl-2-methylprop-2-enamide;imidazol-2-one

N-ethyl-2-methylprop-2-enamide;imidazol-2-one (PubChem CID 161410420) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide;imidazol-2-one.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide;imidazol-2-one
PubChem CID161410420
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-ethyl-2-methylprop-2-enamide;imidazol-2-one
SMILESC=C(C)C(=O)NCC.O=C1N=CC=N1
InChIInChI=1S/C6H11NO.C3H2N2O/c1-4-7-6(8)5(2)3;6-3-4-1-2-5-3/h2,4H2,1,3H3,(H,7,8);1-2H
InChIKeyVVJWSKDGVSVXDB-UHFFFAOYSA-N
XLogP0.96
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-2-methylprop-2-enamide;imidazol-2-one?
The IUPAC name of N-ethyl-2-methylprop-2-enamide;imidazol-2-one (CID 161410420) is N-ethyl-2-methylprop-2-enamide;imidazol-2-one.
What is the SMILES notation for N-ethyl-2-methylprop-2-enamide;imidazol-2-one?
The canonical SMILES for N-ethyl-2-methylprop-2-enamide;imidazol-2-one is C=C(C)C(=O)NCC.O=C1N=CC=N1.
What is the InChIKey of N-ethyl-2-methylprop-2-enamide;imidazol-2-one?
The InChIKey is VVJWSKDGVSVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H2N2O/c1-4-7-6(8)5(2)3;6-3-4-1-2-5-3/h2,4H2,1,3H3,(H,7,8);1-2H.
What are the key properties of N-ethyl-2-methylprop-2-enamide;imidazol-2-one?
N-ethyl-2-methylprop-2-enamide;imidazol-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylprop-2-enamide;imidazol-2-one is sourced from PubChem (CID 161410420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).