1-decan-3-ylpyrrolidin-2-one

C14H27NO — CID 175032444

IUPAC1-decan-3-ylpyrrolidin-2-one
SMILESCCCCCCCC(CC)N1CCCC1=O
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-10-13(4-2)15-12-9-11-14(15)16/h13H,3-12H2,1-2H3
InChIKeyARACYRXECNBDKD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.75
Rot. Bonds8

About 1-decan-3-ylpyrrolidin-2-one

1-decan-3-ylpyrrolidin-2-one (PubChem CID 175032444) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-decan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-decan-3-ylpyrrolidin-2-one
PubChem CID175032444
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-decan-3-ylpyrrolidin-2-one
SMILESCCCCCCCC(CC)N1CCCC1=O
InChIInChI=1S/C14H27NO/c1-3-5-6-7-8-10-13(4-2)15-12-9-11-14(15)16/h13H,3-12H2,1-2H3
InChIKeyARACYRXECNBDKD-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-decan-3-ylpyrrolidin-2-one?
The IUPAC name of 1-decan-3-ylpyrrolidin-2-one (CID 175032444) is 1-decan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-decan-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-decan-3-ylpyrrolidin-2-one is CCCCCCCC(CC)N1CCCC1=O.
What is the InChIKey of 1-decan-3-ylpyrrolidin-2-one?
The InChIKey is ARACYRXECNBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-7-8-10-13(4-2)15-12-9-11-14(15)16/h13H,3-12H2,1-2H3.
What are the key properties of 1-decan-3-ylpyrrolidin-2-one?
1-decan-3-ylpyrrolidin-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 175032444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).