2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide

C11H17N3O3 — CID 51925872

IUPAC2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O
InChIInChI=1S/C11H17N3O3/c1-4-5-12-8(15)6-14-10(16)9(7(2)3)13-11(14)17/h4,7,9H,1,5-6H2,2-3H3,(H,12,15)(H,13,17)/t9-/m0/s1
InChIKeyMZNUIQVSIQFKMZ-VIFPVBQESA-N
MW239.27 g/mol
LogP-0.14
Rot. Bonds5

About 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide

2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 51925872) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
PubChem CID51925872
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O
InChIInChI=1S/C11H17N3O3/c1-4-5-12-8(15)6-14-10(16)9(7(2)3)13-11(14)17/h4,7,9H,1,5-6H2,2-3H3,(H,12,15)(H,13,17)/t9-/m0/s1
InChIKeyMZNUIQVSIQFKMZ-VIFPVBQESA-N
XLogP-0.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide (CID 51925872) is 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is MZNUIQVSIQFKMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-5-12-8(15)6-14-10(16)9(7(2)3)13-11(14)17/h4,7,9H,1,5-6H2,2-3H3,(H,12,15)(H,13,17)/t9-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide?
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 51925872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).