3,5-dimethyl-5-pentylpyrrolidin-2-one

C11H21NO — CID 133106837

IUPAC3,5-dimethyl-5-pentylpyrrolidin-2-one
SMILESCCCCCC1(C)CC(C)C(=O)N1
InChIInChI=1S/C11H21NO/c1-4-5-6-7-11(3)8-9(2)10(13)12-11/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyXGIMGKFFBKZKNH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds4

About 3,5-dimethyl-5-pentylpyrrolidin-2-one

3,5-dimethyl-5-pentylpyrrolidin-2-one (PubChem CID 133106837) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,5-dimethyl-5-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-5-pentylpyrrolidin-2-one
PubChem CID133106837
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,5-dimethyl-5-pentylpyrrolidin-2-one
SMILESCCCCCC1(C)CC(C)C(=O)N1
InChIInChI=1S/C11H21NO/c1-4-5-6-7-11(3)8-9(2)10(13)12-11/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyXGIMGKFFBKZKNH-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.48
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 3,5-dimethyl-5-pentylpyrrolidin-2-one?
The IUPAC name of 3,5-dimethyl-5-pentylpyrrolidin-2-one (CID 133106837) is 3,5-dimethyl-5-pentylpyrrolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-5-pentylpyrrolidin-2-one?
The canonical SMILES for 3,5-dimethyl-5-pentylpyrrolidin-2-one is CCCCCC1(C)CC(C)C(=O)N1.
What is the InChIKey of 3,5-dimethyl-5-pentylpyrrolidin-2-one?
The InChIKey is XGIMGKFFBKZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-11(3)8-9(2)10(13)12-11/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3,5-dimethyl-5-pentylpyrrolidin-2-one?
3,5-dimethyl-5-pentylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5-pentylpyrrolidin-2-one is sourced from PubChem (CID 133106837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).