5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one

C16H23NO2 — CID 104687917

IUPAC5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccccc1CC1(C(C)C)CCC(=O)N1
InChIInChI=1S/C16H23NO2/c1-4-19-14-8-6-5-7-13(14)11-16(12(2)3)10-9-15(18)17-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyRPRONHZBNMKNQH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds5

About 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one

5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 104687917) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID104687917
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccccc1CC1(C(C)C)CCC(=O)N1
InChIInChI=1S/C16H23NO2/c1-4-19-14-8-6-5-7-13(14)11-16(12(2)3)10-9-15(18)17-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyRPRONHZBNMKNQH-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-fluoro-2-methylphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687906
5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
CID 104687812
5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 104687160
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
5-[(3-ethylimidazol-4-yl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 113441419
2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066920
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 104687535
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538437
(3S)-3-[(2-ethoxyphenyl)methyl]piperazine-2,5-dione
CID 131856030
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one (CID 104687917) is 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one is CCOc1ccccc1CC1(C(C)C)CCC(=O)N1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is RPRONHZBNMKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-19-14-8-6-5-7-13(14)11-16(12(2)3)10-9-15(18)17-16/h5-8,12H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one?
5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104687917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).