(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one

C14H18N2O2 — CID 19354256

IUPAC(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1C/C(=N/O)C(C)(C)C1=O
InChIInChI=1S/C14H18N2O2/c1-10(11-7-5-4-6-8-11)16-9-12(15-18)14(2,3)13(16)17/h4-8,10,18H,9H2,1-3H3/b15-12-
InChIKeyAGBBNUGVZQJYKO-QINSGFPZSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds2

About (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one

(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 19354256) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID19354256
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1C/C(=N/O)C(C)(C)C1=O
InChIInChI=1S/C14H18N2O2/c1-10(11-7-5-4-6-8-11)16-9-12(15-18)14(2,3)13(16)17/h4-8,10,18H,9H2,1-3H3/b15-12-
InChIKeyAGBBNUGVZQJYKO-QINSGFPZSA-N
XLogP2.45
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-hydroxyimino-5-[(1S)-1-phenylethyl]-5-azaspiro[2.4]heptan-4-one
CID 160687276
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 99770501
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656
9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957690
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
(5E)-5-hydroxyimino-3,4,4-trimethyl-1-(1-phenylethyl)imidazolidin-2-one
CID 13157338
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-4,7,10,13,16-pentakis[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 58018150
(1S,5R)-1-acetyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 102533006
(4R)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 10263949

Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one (CID 19354256) is (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1C/C(=N/O)C(C)(C)C1=O.
What is the InChIKey of (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is AGBBNUGVZQJYKO-QINSGFPZSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(11-7-5-4-6-8-11)16-9-12(15-18)14(2,3)13(16)17/h4-8,10,18H,9H2,1-3H3/b15-12-.
What are the key properties of (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one?
(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 19354256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).