1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

C14H19NO2 — CID 106900848

IUPAC1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCCc1ccc(CN2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-2-11-3-5-12(6-4-11)8-15-9-13(10-16)7-14(15)17/h3-6,13,16H,2,7-10H2,1H3
InChIKeyNDVJUIRQLGLIGA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.59
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 106900848) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID106900848
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCCc1ccc(CN2CC(CO)CC2=O)cc1
InChIInChI=1S/C14H19NO2/c1-2-11-3-5-12(6-4-11)8-15-9-13(10-16)7-14(15)17/h3-6,13,16H,2,7-10H2,1H3
InChIKeyNDVJUIRQLGLIGA-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 106900848) is 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one is CCc1ccc(CN2CC(CO)CC2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is NDVJUIRQLGLIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-3-5-12(6-4-11)8-15-9-13(10-16)7-14(15)17/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 106900848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).