1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one

C15H14INO2 — CID 79784619

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one
SMILESO=c1c(I)cccn1CC1OCCc2ccccc21
InChIInChI=1S/C15H14INO2/c16-13-6-3-8-17(15(13)18)10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2
InChIKeyYSEWETDGENFRQU-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.77
Rot. Bonds2

About 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one (PubChem CID 79784619) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one
PubChem CID79784619
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one
SMILESO=c1c(I)cccn1CC1OCCc2ccccc21
InChIInChI=1S/C15H14INO2/c16-13-6-3-8-17(15(13)18)10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2
InChIKeyYSEWETDGENFRQU-UHFFFAOYSA-N
XLogP2.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66342896
6-chloro-3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-iodopyrimidin-4-one
CID 114584146
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-iodophenyl)ethanol
CID 115809682
2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115629334
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
6-amino-2-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyridazin-3-one
CID 116788178
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193190
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 115629530
(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
CID 115302560
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(4-fluorophenyl)piperazine;dihydrochloride
CID 23288788
1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)azetidin-3-yl]triazole
CID 121183845

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one (CID 79784619) is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one is O=c1c(I)cccn1CC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one?
The InChIKey is YSEWETDGENFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c16-13-6-3-8-17(15(13)18)10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one?
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one has a molecular weight of 367.19 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-iodopyridin-2-one is sourced from PubChem (CID 79784619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).