(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone

C11H12INO2 — CID 55211972

IUPAC(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCC(O)C1
InChIInChI=1S/C11H12INO2/c12-10-4-2-1-3-9(10)11(15)13-6-5-8(14)7-13/h1-4,8,14H,5-7H2
InChIKeyDJGILGNVPQHALI-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.50
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone

(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone (PubChem CID 55211972) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
PubChem CID55211972
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCC(O)C1
InChIInChI=1S/C11H12INO2/c12-10-4-2-1-3-9(10)11(15)13-6-5-8(14)7-13/h1-4,8,14H,5-7H2
InChIKeyDJGILGNVPQHALI-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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

(3-chloro-4-methylpiperidin-1-yl)-(2-iodophenyl)methanone
CID 102961362
(3,4-diaminopiperidin-1-yl)-(2-iodophenyl)methanone
CID 22008221
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217222
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
CID 107214240

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone (CID 55211972) is (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone?
The InChIKey is DJGILGNVPQHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c12-10-4-2-1-3-9(10)11(15)13-6-5-8(14)7-13/h1-4,8,14H,5-7H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone?
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone has a molecular weight of 317.13 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone is sourced from PubChem (CID 55211972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).