[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone

C11H13IN2O — CID 81469857

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cccc(I)c2)C1
InChIInChI=1S/C11H13IN2O/c12-9-3-1-2-8(6-9)11(15)14-5-4-10(13)7-14/h1-3,6,10H,4-5,7,13H2/t10-/m1/s1
InChIKeyGXETWWNTSVOUDI-SNVBAGLBSA-N
MW316.14 g/mol
LogP1.46
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone (PubChem CID 81469857) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
PubChem CID81469857
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
SMILESN[C@@H]1CCN(C(=O)c2cccc(I)c2)C1
InChIInChI=1S/C11H13IN2O/c12-9-3-1-2-8(6-9)11(15)14-5-4-10(13)7-14/h1-3,6,10H,4-5,7,13H2/t10-/m1/s1
InChIKeyGXETWWNTSVOUDI-SNVBAGLBSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 51.46
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

(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 62371120
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330
(4-amino-3-methylpiperidin-1-yl)-(3-iodophenyl)methanone
CID 79879651
[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63397891
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-iodophenyl)methanone;hydrochloride
CID 120819588
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone (CID 81469857) is [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone is N[C@@H]1CCN(C(=O)c2cccc(I)c2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone?
The InChIKey is GXETWWNTSVOUDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13IN2O/c12-9-3-1-2-8(6-9)11(15)14-5-4-10(13)7-14/h1-3,6,10H,4-5,7,13H2/t10-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone has a molecular weight of 316.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 81469857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).