(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one

C11H13ClN2O — CID 154994053

IUPAC(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
SMILESCC1C(=O)NC(c2ccccc2)[C@H]1NCl
InChIInChI=1S/C11H13ClN2O/c1-7-9(14-12)10(13-11(7)15)8-5-3-2-4-6-8/h2-7,9-10,14H,1H3,(H,13,15)/t7?,9-,10?/m0/s1
InChIKeyOZSULLFGCLNQLL-ZAJCDATESA-N
MW224.69 g/mol
LogP1.61
Rot. Bonds2

About (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one

(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one (PubChem CID 154994053) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
PubChem CID154994053
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one
SMILESCC1C(=O)NC(c2ccccc2)[C@H]1NCl
InChIInChI=1S/C11H13ClN2O/c1-7-9(14-12)10(13-11(7)15)8-5-3-2-4-6-8/h2-7,9-10,14H,1H3,(H,13,15)/t7?,9-,10?/m0/s1
InChIKeyOZSULLFGCLNQLL-ZAJCDATESA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one (CID 154994053) is (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one is CC1C(=O)NC(c2ccccc2)[C@H]1NCl.
What is the InChIKey of (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one?
The InChIKey is OZSULLFGCLNQLL-ZAJCDATESA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-9(14-12)10(13-11(7)15)8-5-3-2-4-6-8/h2-7,9-10,14H,1H3,(H,13,15)/t7?,9-,10?/m0/s1.
What are the key properties of (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one?
(4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(chloroamino)-3-methyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 154994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).