1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one

C10H7IN2O3 — CID 12791245

IUPAC1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one
SMILESO=C(Cn1cc(I)cnc1=O)c1ccoc1
InChIInChI=1S/C10H7IN2O3/c11-8-3-12-10(15)13(4-8)5-9(14)7-1-2-16-6-7/h1-4,6H,5H2
InChIKeyAUCUVOHYBHTPFS-UHFFFAOYSA-N
MW330.08 g/mol
LogP1.32
Rot. Bonds3

About 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one

1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one (PubChem CID 12791245) has the molecular formula C10H7IN2O3 and a molecular weight of 330.08 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one
PubChem CID12791245
Molecular FormulaC10H7IN2O3
Molecular Weight330.08 g/mol
Exact Mass329.95
IUPAC Name1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one
SMILESO=C(Cn1cc(I)cnc1=O)c1ccoc1
InChIInChI=1S/C10H7IN2O3/c11-8-3-12-10(15)13(4-8)5-9(14)7-1-2-16-6-7/h1-4,6H,5H2
InChIKeyAUCUVOHYBHTPFS-UHFFFAOYSA-N
XLogP1.32
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one?
The IUPAC name of 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one (CID 12791245) is 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one.
What is the SMILES notation for 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one?
The canonical SMILES for 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one is O=C(Cn1cc(I)cnc1=O)c1ccoc1.
What is the InChIKey of 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one?
The InChIKey is AUCUVOHYBHTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O3/c11-8-3-12-10(15)13(4-8)5-9(14)7-1-2-16-6-7/h1-4,6H,5H2.
What are the key properties of 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one?
1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one has a molecular weight of 330.08 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)-2-oxoethyl]-5-iodopyrimidin-2-one is sourced from PubChem (CID 12791245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).