[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone

C12H14INO2 — CID 62371120

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCC(CO)C1
InChIInChI=1S/C12H14INO2/c13-11-3-1-2-10(6-11)12(16)14-5-4-9(7-14)8-15/h1-3,6,9,15H,4-5,7-8H2
InChIKeyHUXRZIOMTWFNNY-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.75
Rot. Bonds2

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 62371120) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
PubChem CID62371120
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCC(CO)C1
InChIInChI=1S/C12H14INO2/c13-11-3-1-2-10(6-11)12(16)14-5-4-9(7-14)8-15/h1-3,6,9,15H,4-5,7-8H2
InChIKeyHUXRZIOMTWFNNY-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.75
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-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63397891
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
(4-amino-3-methylpiperidin-1-yl)-(3-iodophenyl)methanone
CID 79879651
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone (CID 62371120) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)N1CCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is HUXRZIOMTWFNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-11-3-1-2-10(6-11)12(16)14-5-4-9(7-14)8-15/h1-3,6,9,15H,4-5,7-8H2.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 331.15 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 62371120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).