4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one

C8H12INO2 — CID 132549864

IUPAC4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=C(OCCCI)CCN1
InChIInChI=1S/C8H12INO2/c9-3-1-5-12-7-2-4-10-8(11)6-7/h6H,1-5H2,(H,10,11)
InChIKeyJSFPOJLQFSTMSV-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.23
Rot. Bonds4

About 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one

4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 132549864) has the molecular formula C8H12INO2 and a molecular weight of 281.09 g/mol. Its IUPAC name is 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one
PubChem CID132549864
Molecular FormulaC8H12INO2
Molecular Weight281.09 g/mol
Exact Mass280.99
IUPAC Name4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=C(OCCCI)CCN1
InChIInChI=1S/C8H12INO2/c9-3-1-5-12-7-2-4-10-8(11)6-7/h6H,1-5H2,(H,10,11)
InChIKeyJSFPOJLQFSTMSV-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one (CID 132549864) is 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one is O=C1C=C(OCCCI)CCN1.
What is the InChIKey of 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is JSFPOJLQFSTMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INO2/c9-3-1-5-12-7-2-4-10-8(11)6-7/h6H,1-5H2,(H,10,11).
What are the key properties of 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one?
4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 281.09 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodopropoxy)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 132549864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).