1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one

C14H19NOSe — CID 15507886

IUPAC1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(C)(C)CC1C[Se]c1ccccc1
InChIInChI=1S/C14H19NOSe/c1-14(2)9-11(15(3)13(14)16)10-17-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyVYQNWUALRBOUCQ-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.69
Rot. Bonds3

About 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one

1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one (PubChem CID 15507886) has the molecular formula C14H19NOSe and a molecular weight of 296.27 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one
PubChem CID15507886
Molecular FormulaC14H19NOSe
Molecular Weight296.27 g/mol
Exact Mass297.06
IUPAC Name1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(C)(C)CC1C[Se]c1ccccc1
InChIInChI=1S/C14H19NOSe/c1-14(2)9-11(15(3)13(14)16)10-17-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyVYQNWUALRBOUCQ-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrrolidinone, 5-((4-fluorophenyl)methyl)-1,3,3-trimethyl-
CID 3024922
1-(1-Phenylpropan-2-yl)pyrrolidin-2-one
CID 262613
2-(3-Phenylpropyl)-6-propan-2-yl-2,6-diazaspiro[3.4]octan-7-one
CID 172459012
Oxoprolintane
CID 3082421
1-Buta-2,3-dienyl-5-phenylselanylpyrrolidin-2-one
CID 86097856
(5R)-3,3,5-trimethyl-1-[(2S)-2-methyl-3-phenylpropanoyl]pyrrolidin-2-one
CID 11076601
1-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one
CID 118486748
5-[(E)-4-(3-fluorophenyl)but-1-enyl]-1-heptylpyrrolidin-2-one
CID 142208621
5-[(E)-4-(4-fluorophenyl)but-1-enyl]-1-propylpyrrolidin-2-one
CID 142208776
5-Methyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 10845830
1-Methyl-3-(phenylselanyl)pyrrolidin-2-one
CID 12368422
1-Benzyl-4,5-dimethylpyrrolidin-2-one
CID 14435952

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one (CID 15507886) is 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one is CN1C(=O)C(C)(C)CC1C[Se]c1ccccc1.
What is the InChIKey of 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one?
The InChIKey is VYQNWUALRBOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSe/c1-14(2)9-11(15(3)13(14)16)10-17-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one?
1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one has a molecular weight of 296.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-(phenylselanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 15507886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).