4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one

C16H23NO2 — CID 22115930

IUPAC4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
SMILESCCCCCc1ccc(N2CC(CO)CC2=O)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-13-6-8-15(9-7-13)17-11-14(12-18)10-16(17)19/h6-9,14,18H,2-5,10-12H2,1H3
InChIKeyOWLPQHISVGJCQA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds6

About 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one (PubChem CID 22115930) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
PubChem CID22115930
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
SMILESCCCCCc1ccc(N2CC(CO)CC2=O)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-13-6-8-15(9-7-13)17-11-14(12-18)10-16(17)19/h6-9,14,18H,2-5,10-12H2,1H3
InChIKeyOWLPQHISVGJCQA-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one (CID 22115930) is 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one is CCCCCc1ccc(N2CC(CO)CC2=O)cc1.
What is the InChIKey of 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one?
The InChIKey is OWLPQHISVGJCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-5-13-6-8-15(9-7-13)17-11-14(12-18)10-16(17)19/h6-9,14,18H,2-5,10-12H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 22115930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).