(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide

C11H14N4O3 — CID 21131417

IUPAC(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\N1C(=O)CN(C)C1=O
InChIInChI=1S/C11H14N4O3/c1-3-4-13-10(17)8(5-12)6-15-9(16)7-14(2)11(15)18/h6H,3-4,7H2,1-2H3,(H,13,17)/b8-6-
InChIKeyAWAOYPYNUWPASD-VURMDHGXSA-N
MW250.26 g/mol
LogP-0.19
Rot. Bonds4

About (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide

(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide (PubChem CID 21131417) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide
PubChem CID21131417
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\N1C(=O)CN(C)C1=O
InChIInChI=1S/C11H14N4O3/c1-3-4-13-10(17)8(5-12)6-15-9(16)7-14(2)11(15)18/h6H,3-4,7H2,1-2H3,(H,13,17)/b8-6-
InChIKeyAWAOYPYNUWPASD-VURMDHGXSA-N
XLogP-0.19
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide 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 (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide (CID 21131417) is (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\N1C(=O)CN(C)C1=O.
What is the InChIKey of (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide?
The InChIKey is AWAOYPYNUWPASD-VURMDHGXSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-4-13-10(17)8(5-12)6-15-9(16)7-14(2)11(15)18/h6H,3-4,7H2,1-2H3,(H,13,17)/b8-6-.
What are the key properties of (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide has a molecular weight of 250.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 21131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).