1-(1-hydroxydecyl)pyrrolidin-2-one

C14H27NO2 — CID 69262098

IUPAC1-(1-hydroxydecyl)pyrrolidin-2-one
SMILESCCCCCCCCCC(O)N1CCCC1=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(15)17/h13,16H,2-12H2,1H3
InChIKeyCBEILZBEYRSWCE-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.07
Rot. Bonds9

About 1-(1-hydroxydecyl)pyrrolidin-2-one

1-(1-hydroxydecyl)pyrrolidin-2-one (PubChem CID 69262098) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(1-hydroxydecyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxydecyl)pyrrolidin-2-one
PubChem CID69262098
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(1-hydroxydecyl)pyrrolidin-2-one
SMILESCCCCCCCCCC(O)N1CCCC1=O
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(15)17/h13,16H,2-12H2,1H3
InChIKeyCBEILZBEYRSWCE-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.07
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 1-(1-hydroxydecyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-hydroxydecyl)pyrrolidin-2-one (CID 69262098) is 1-(1-hydroxydecyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-hydroxydecyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-hydroxydecyl)pyrrolidin-2-one is CCCCCCCCCC(O)N1CCCC1=O.
What is the InChIKey of 1-(1-hydroxydecyl)pyrrolidin-2-one?
The InChIKey is CBEILZBEYRSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(15)17/h13,16H,2-12H2,1H3.
What are the key properties of 1-(1-hydroxydecyl)pyrrolidin-2-one?
1-(1-hydroxydecyl)pyrrolidin-2-one has a molecular weight of 241.37 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxydecyl)pyrrolidin-2-one is sourced from PubChem (CID 69262098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).