(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one

C13H18N2O2 — CID 164674069

IUPAC(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one
SMILESCN1C[C@](C)(NOCc2ccccc2)CC1=O
InChIInChI=1S/C13H18N2O2/c1-13(8-12(16)15(2)10-13)14-17-9-11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBRQWMZYXLXFHTJ-CYBMUJFWSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds4

About (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one

(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one (PubChem CID 164674069) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one
PubChem CID164674069
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one
SMILESCN1C[C@](C)(NOCc2ccccc2)CC1=O
InChIInChI=1S/C13H18N2O2/c1-13(8-12(16)15(2)10-13)14-17-9-11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBRQWMZYXLXFHTJ-CYBMUJFWSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one?
The IUPAC name of (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one (CID 164674069) is (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one?
The canonical SMILES for (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one is CN1C[C@](C)(NOCc2ccccc2)CC1=O.
What is the InChIKey of (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one?
The InChIKey is BRQWMZYXLXFHTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(8-12(16)15(2)10-13)14-17-9-11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one?
(4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-dimethyl-4-(phenylmethoxyamino)pyrrolidin-2-one is sourced from PubChem (CID 164674069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).