(Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide

C11H18N4O2 — CID 70503603

IUPAC(Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide
SMILESC/C(N)=C/C(=O)N/C(C)=C\C(=O)N1CCNC1
InChIInChI=1S/C11H18N4O2/c1-8(12)5-10(16)14-9(2)6-11(17)15-4-3-13-7-15/h5-6,13H,3-4,7,12H2,1-2H3,(H,14,16)/b8-5-,9-6-
InChIKeyQHQBPHYMXTYQMG-VVRUXRSYSA-N
MW238.29 g/mol
LogP-0.74
Rot. Bonds3

About (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide

(Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide (PubChem CID 70503603) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide
PubChem CID70503603
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide
SMILESC/C(N)=C/C(=O)N/C(C)=C\C(=O)N1CCNC1
InChIInChI=1S/C11H18N4O2/c1-8(12)5-10(16)14-9(2)6-11(17)15-4-3-13-7-15/h5-6,13H,3-4,7,12H2,1-2H3,(H,14,16)/b8-5-,9-6-
InChIKeyQHQBPHYMXTYQMG-VVRUXRSYSA-N
XLogP-0.74
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide?
The IUPAC name of (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide (CID 70503603) is (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide is C/C(N)=C/C(=O)N/C(C)=C\C(=O)N1CCNC1.
What is the InChIKey of (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide?
The InChIKey is QHQBPHYMXTYQMG-VVRUXRSYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(12)5-10(16)14-9(2)6-11(17)15-4-3-13-7-15/h5-6,13H,3-4,7,12H2,1-2H3,(H,14,16)/b8-5-,9-6-.
What are the key properties of (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide?
(Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide has a molecular weight of 238.29 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-[(Z)-4-imidazolidin-1-yl-4-oxobut-2-en-2-yl]but-2-enamide is sourced from PubChem (CID 70503603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).