N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide

C10H13IN2O4 — CID 130359030

IUPACN-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1C(=O)C=CC1CI
InChIInChI=1S/C10H13IN2O4/c1-6(15)12-8(5-14)10(17)13-7(4-11)2-3-9(13)16/h2-3,7-8,14H,4-5H2,1H3,(H,12,15)
InChIKeyVJBJNLOLWDFCEW-UHFFFAOYSA-N
MW352.13 g/mol
LogP-0.79
Rot. Bonds4

About N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide

N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 130359030) has the molecular formula C10H13IN2O4 and a molecular weight of 352.13 g/mol. Its IUPAC name is N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID130359030
Molecular FormulaC10H13IN2O4
Molecular Weight352.13 g/mol
Exact Mass351.99
IUPAC NameN-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1C(=O)C=CC1CI
InChIInChI=1S/C10H13IN2O4/c1-6(15)12-8(5-14)10(17)13-7(4-11)2-3-9(13)16/h2-3,7-8,14H,4-5H2,1H3,(H,12,15)
InChIKeyVJBJNLOLWDFCEW-UHFFFAOYSA-N
XLogP-0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide
CID 147258650
(2S)-3-hydroxy-2-[[2-[methyl(pent-2-enoyl)amino]acetyl]amino]propanoic acid
CID 173639987

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide (CID 130359030) is N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(CO)C(=O)N1C(=O)C=CC1CI.
What is the InChIKey of N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is VJBJNLOLWDFCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O4/c1-6(15)12-8(5-14)10(17)13-7(4-11)2-3-9(13)16/h2-3,7-8,14H,4-5H2,1H3,(H,12,15).
What are the key properties of N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide?
N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 352.13 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[2-(iodomethyl)-5-oxo-2H-pyrrol-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 130359030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).