(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone

C12H14INO2 — CID 64866160

IUPAC(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1ccc(I)cc1C(=O)C1CCCN1
InChIInChI=1S/C12H14INO2/c1-16-11-5-4-8(13)7-9(11)12(15)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3
InChIKeyHZCAGNKBHXTSSP-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.23
Rot. Bonds3

About (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone

(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 64866160) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
PubChem CID64866160
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1ccc(I)cc1C(=O)C1CCCN1
InChIInChI=1S/C12H14INO2/c1-16-11-5-4-8(13)7-9(11)12(15)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3
InChIKeyHZCAGNKBHXTSSP-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765620
(3-tert-butyl-4-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049736
(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552949
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone (CID 64866160) is (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone is COc1ccc(I)cc1C(=O)C1CCCN1.
What is the InChIKey of (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is HZCAGNKBHXTSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-16-11-5-4-8(13)7-9(11)12(15)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3.
What are the key properties of (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone?
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 331.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 64866160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).