(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C15H19IN2O — CID 62947262

IUPAC(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1I)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H19IN2O/c16-14-6-2-1-5-13(14)15(19)18-10-7-12(11-18)17-8-3-4-9-17/h1-2,5-6,12H,3-4,7-11H2
InChIKeyOVAHZLOJILTJQU-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.60
Rot. Bonds2

About (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 62947262) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID62947262
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1I)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H19IN2O/c16-14-6-2-1-5-13(14)15(19)18-10-7-12(11-18)17-8-3-4-9-17/h1-2,5-6,12H,3-4,7-11H2
InChIKeyOVAHZLOJILTJQU-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 62947262) is (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccccc1I)N1CCC(N2CCCC2)C1.
What is the InChIKey of (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is OVAHZLOJILTJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c16-14-6-2-1-5-13(14)15(19)18-10-7-12(11-18)17-8-3-4-9-17/h1-2,5-6,12H,3-4,7-11H2.
What are the key properties of (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 370.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62947262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).