(3R)-1-iodo-3-methylpyrrolidin-2-one

C5H8INO — CID 144527785

IUPAC(3R)-1-iodo-3-methylpyrrolidin-2-one
SMILESC[C@@H]1CCN(I)C1=O
InChIInChI=1S/C5H8INO/c1-4-2-3-7(6)5(4)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyGYLSBPWHWGMGKP-SCSAIBSYSA-N
MW225.03 g/mol
LogP1.20
Rot. Bonds

About (3R)-1-iodo-3-methylpyrrolidin-2-one

(3R)-1-iodo-3-methylpyrrolidin-2-one (PubChem CID 144527785) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is (3R)-1-iodo-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-iodo-3-methylpyrrolidin-2-one
PubChem CID144527785
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC Name(3R)-1-iodo-3-methylpyrrolidin-2-one
SMILESC[C@@H]1CCN(I)C1=O
InChIInChI=1S/C5H8INO/c1-4-2-3-7(6)5(4)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyGYLSBPWHWGMGKP-SCSAIBSYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
(3S)-1-cyclohexyl-3-methylpyrrolidin-2-one
CID 143051215
azane;3-methyl-2-oxopyrrolidine-1-carboxylic acid
CID 175290207
1-cycloheptyl-3-methylpyrrolidin-2-one
CID 91284364
2-(3-methyl-2-oxopyrrolidin-1-yl)acetaldehyde
CID 58689344
3-methyl-1-prop-2-ynylpyrrolidin-2-one
CID 130957901
1,3-dimethylpyrrolidin-2-one;methane;1,4-xylene
CID 159349569
1-decanoyl-3-methylpyrrolidin-2-one
CID 19035137
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
CID 130986072

Frequently Asked Questions

What is the IUPAC name of (3R)-1-iodo-3-methylpyrrolidin-2-one?
The IUPAC name of (3R)-1-iodo-3-methylpyrrolidin-2-one (CID 144527785) is (3R)-1-iodo-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-iodo-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-iodo-3-methylpyrrolidin-2-one is C[C@@H]1CCN(I)C1=O.
What is the InChIKey of (3R)-1-iodo-3-methylpyrrolidin-2-one?
The InChIKey is GYLSBPWHWGMGKP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8INO/c1-4-2-3-7(6)5(4)8/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-1-iodo-3-methylpyrrolidin-2-one?
(3R)-1-iodo-3-methylpyrrolidin-2-one has a molecular weight of 225.03 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-iodo-3-methylpyrrolidin-2-one is sourced from PubChem (CID 144527785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).