(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

C13H13IN2O — CID 162765620

IUPAC(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1c[nH]c2ccc(I)cc12)C1CCCN1
InChIInChI=1S/C13H13IN2O/c14-8-3-4-11-9(6-8)10(7-16-11)13(17)12-2-1-5-15-12/h3-4,6-7,12,15-16H,1-2,5H2
InChIKeyJTHNBAVMFFDFLW-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.71
Rot. Bonds2

About (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (PubChem CID 162765620) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
PubChem CID162765620
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1c[nH]c2ccc(I)cc12)C1CCCN1
InChIInChI=1S/C13H13IN2O/c14-8-3-4-11-9(6-8)10(7-16-11)13(17)12-2-1-5-15-12/h3-4,6-7,12,15-16H,1-2,5H2
InChIKeyJTHNBAVMFFDFLW-UHFFFAOYSA-N
XLogP2.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765688
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84630313
tert-butyl 5-iodo-1H-indole-3-carboxylate
CID 69020976
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
6-iodo-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 143617147
3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376

Frequently Asked Questions

What is the IUPAC name of (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (CID 162765620) is (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is O=C(c1c[nH]c2ccc(I)cc12)C1CCCN1.
What is the InChIKey of (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is JTHNBAVMFFDFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c14-8-3-4-11-9(6-8)10(7-16-11)13(17)12-2-1-5-15-12/h3-4,6-7,12,15-16H,1-2,5H2.
What are the key properties of (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 340.16 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 162765620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).