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

C11H12INO — CID 130498002

IUPAC1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
SMILESCc1c(I)cccc1N1CCCC1=O
InChIInChI=1S/C11H12INO/c1-8-9(12)4-2-5-10(8)13-7-3-6-11(13)14/h2,4-5H,3,6-7H2,1H3
InChIKeySCKYPMWRVVPJRI-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.73
Rot. Bonds1

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

1-(3-iodo-2-methylphenyl)pyrrolidin-2-one (PubChem CID 130498002) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
PubChem CID130498002
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name1-(3-iodo-2-methylphenyl)pyrrolidin-2-one
SMILESCc1c(I)cccc1N1CCCC1=O
InChIInChI=1S/C11H12INO/c1-8-9(12)4-2-5-10(8)13-7-3-6-11(13)14/h2,4-5H,3,6-7H2,1H3
InChIKeySCKYPMWRVVPJRI-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-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
1-(3-iodo-2-methylphenyl)-1,3-diazinan-2-one
CID 130498007
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
2-chloro-N'-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanimidamide
CID 169366965
1-(3-chloro-2-methylphenyl)-1,5-diazocan-2-one
CID 117014427
1-(4-iodo-2-methylphenyl)pyrrolidin-2-one
CID 146014874
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
4-(2,3-dimethylphenyl)-1,4-diazocan-5-one
CID 117015352
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
ethane;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 142348344
1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
CID 67155260
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one (CID 130498002) is 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one is Cc1c(I)cccc1N1CCCC1=O.
What is the InChIKey of 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is SCKYPMWRVVPJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c1-8-9(12)4-2-5-10(8)13-7-3-6-11(13)14/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 1-(3-iodo-2-methylphenyl)pyrrolidin-2-one?
1-(3-iodo-2-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-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 130498002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).