1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one

C12H21N3O — CID 103072780

IUPAC1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one
SMILESC=C(CNC(C)C)Cn1ccn(CC)c1=O
InChIInChI=1S/C12H21N3O/c1-5-14-6-7-15(12(14)16)9-11(4)8-13-10(2)3/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyFGUANKCYWVXOPV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.22
Rot. Bonds6

About 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one

1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one (PubChem CID 103072780) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one
PubChem CID103072780
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one
SMILESC=C(CNC(C)C)Cn1ccn(CC)c1=O
InChIInChI=1S/C12H21N3O/c1-5-14-6-7-15(12(14)16)9-11(4)8-13-10(2)3/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyFGUANKCYWVXOPV-UHFFFAOYSA-N
XLogP1.22
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one (CID 103072780) is 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one is C=C(CNC(C)C)Cn1ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one?
The InChIKey is FGUANKCYWVXOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-14-6-7-15(12(14)16)9-11(4)8-13-10(2)3/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one?
1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazol-2-one is sourced from PubChem (CID 103072780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).