(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone

C11H12INO2 — CID 104627285

IUPAC(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(I)c(O)c1)N1CCCC1
InChIInChI=1S/C11H12INO2/c12-9-4-3-8(7-10(9)14)11(15)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6H2
InChIKeyWYIBLMIIKCJTBG-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.23
Rot. Bonds1

About (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone

(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 104627285) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
PubChem CID104627285
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(I)c(O)c1)N1CCCC1
InChIInChI=1S/C11H12INO2/c12-9-4-3-8(7-10(9)14)11(15)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6H2
InChIKeyWYIBLMIIKCJTBG-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 113434754
(3-hydroxy-4-iodophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104628330
4-(3-hydroxy-4-iodobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102978212
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
1-[2-iodo-5-(pyrrolidine-1-carbonyl)phenyl]ethanone
CID 68928057
azetidin-1-yl-(3-fluoro-4-iodophenyl)methanone
CID 139600419
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104629925
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone (CID 104627285) is (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(I)c(O)c1)N1CCCC1.
What is the InChIKey of (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is WYIBLMIIKCJTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c12-9-4-3-8(7-10(9)14)11(15)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6H2.
What are the key properties of (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone?
(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 317.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 104627285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).