(5R)-5-decylpyrrolidin-2-one

C14H27NO — CID 146162578

IUPAC(5R)-5-decylpyrrolidin-2-one
SMILESCCCCCCCCCC[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(16)15-13/h13H,2-12H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyXUHNIQWZDYQQQX-CYBMUJFWSA-N
MW225.38 g/mol
LogP3.80
Rot. Bonds9

About (5R)-5-decylpyrrolidin-2-one

(5R)-5-decylpyrrolidin-2-one (PubChem CID 146162578) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (5R)-5-decylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-decylpyrrolidin-2-one
PubChem CID146162578
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(5R)-5-decylpyrrolidin-2-one
SMILESCCCCCCCCCC[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(16)15-13/h13H,2-12H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyXUHNIQWZDYQQQX-CYBMUJFWSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 (5R)-5-decylpyrrolidin-2-one?
The IUPAC name of (5R)-5-decylpyrrolidin-2-one (CID 146162578) is (5R)-5-decylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-decylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-decylpyrrolidin-2-one is CCCCCCCCCC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-decylpyrrolidin-2-one?
The InChIKey is XUHNIQWZDYQQQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(16)15-13/h13H,2-12H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (5R)-5-decylpyrrolidin-2-one?
(5R)-5-decylpyrrolidin-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-decylpyrrolidin-2-one is sourced from PubChem (CID 146162578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).