1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one

C11H19N3O — CID 103072797

IUPAC1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one
SMILESC=C(CNC)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-9(2)14-6-5-13(11(14)15)8-10(3)7-12-4/h5-6,9,12H,3,7-8H2,1-2,4H3
InChIKeyDZUVZVWVZYYNMA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.01
Rot. Bonds5

About 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one

1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one (PubChem CID 103072797) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one
PubChem CID103072797
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one
SMILESC=C(CNC)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-9(2)14-6-5-13(11(14)15)8-10(3)7-12-4/h5-6,9,12H,3,7-8H2,1-2,4H3
InChIKeyDZUVZVWVZYYNMA-UHFFFAOYSA-N
XLogP1.01
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[2-(methylaminomethyl)prop-2-enyl]imidazol-2-one
CID 103072802
1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one
CID 103072780
1-(3-methyl-2-oxopentyl)-3-propan-2-ylimidazol-2-one
CID 80581530
N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624987
N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116625062
N-(4-bromophenyl)-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
CID 116625100
1-[2-(4-iodophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581510
1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylimidazol-2-one
CID 103072783
1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581489
2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetonitrile
CID 80581156
5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one
CID 103071702
2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one (CID 103072797) is 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one is C=C(CNC)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is DZUVZVWVZYYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14-6-5-13(11(14)15)8-10(3)7-12-4/h5-6,9,12H,3,7-8H2,1-2,4H3.
What are the key properties of 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one?
1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)prop-2-enyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 103072797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).