1-(3-iodo-4-methylphenyl)pyrrolidin-2-one

C11H12INO — CID 70646399

IUPAC1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1I
InChIInChI=1S/C11H12INO/c1-8-4-5-9(7-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyFLEUZOZMHFCANR-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.73
Rot. Bonds1

About 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one

1-(3-iodo-4-methylphenyl)pyrrolidin-2-one (PubChem CID 70646399) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
PubChem CID70646399
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1I
InChIInChI=1S/C11H12INO/c1-8-4-5-9(7-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyFLEUZOZMHFCANR-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(3-azido-4-methylphenyl)pyrrolidin-2-one
CID 169324833
1-(3-iodo-4-methylphenyl)piperidin-4-one
CID 130498128
3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
CID 130498345
1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine
CID 168601988
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
1-(4-methylsulfinylphenyl)pyrrolidin-2-one
CID 69051347
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
CID 68824082

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one (CID 70646399) is 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCCC2=O)cc1I.
What is the InChIKey of 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is FLEUZOZMHFCANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c1-8-4-5-9(7-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one?
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 301.13 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 70646399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).