1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one

C15H27NO3 — CID 10683430

IUPAC1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one
SMILESCCCCCCCC(O)C(C)C(=O)N1CCCC1=O
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h12-13,17H,3-11H2,1-2H3
InChIKeyOUENLLSRFCIGPW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.49
Rot. Bonds8

About 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one

1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one (PubChem CID 10683430) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one
PubChem CID10683430
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one
SMILESCCCCCCCC(O)C(C)C(=O)N1CCCC1=O
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h12-13,17H,3-11H2,1-2H3
InChIKeyOUENLLSRFCIGPW-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one (CID 10683430) is 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one is CCCCCCCC(O)C(C)C(=O)N1CCCC1=O.
What is the InChIKey of 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one?
The InChIKey is OUENLLSRFCIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-5-6-7-9-13(17)12(2)15(19)16-11-8-10-14(16)18/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one?
1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methyldecanoyl)pyrrolidin-2-one is sourced from PubChem (CID 10683430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).