1-(cyclopropylmethyl)-5-iodopyridin-2-one

C9H10INO — CID 79777794

IUPAC1-(cyclopropylmethyl)-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1CC1CC1
InChIInChI=1S/C9H10INO/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyYRAFYYCVCJGRRL-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.86
Rot. Bonds2

About 1-(cyclopropylmethyl)-5-iodopyridin-2-one

1-(cyclopropylmethyl)-5-iodopyridin-2-one (PubChem CID 79777794) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-iodopyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-iodopyridin-2-one
PubChem CID79777794
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name1-(cyclopropylmethyl)-5-iodopyridin-2-one
SMILESO=c1ccc(I)cn1CC1CC1
InChIInChI=1S/C9H10INO/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyYRAFYYCVCJGRRL-UHFFFAOYSA-N
XLogP1.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(cyclopropylmethyl)-5-iodopyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-iodopyridin-2-one (CID 79777794) is 1-(cyclopropylmethyl)-5-iodopyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-iodopyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-iodopyridin-2-one is O=c1ccc(I)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-iodopyridin-2-one?
The InChIKey is YRAFYYCVCJGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c10-8-3-4-9(12)11(6-8)5-7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 1-(cyclopropylmethyl)-5-iodopyridin-2-one?
1-(cyclopropylmethyl)-5-iodopyridin-2-one has a molecular weight of 275.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-iodopyridin-2-one is sourced from PubChem (CID 79777794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).