1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide

C11H20N2O2 — CID 68571961

IUPAC1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide
SMILESCCCCCC1CN(C)C(=O)C1C(N)=O
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-8-7-13(2)11(15)9(8)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)
InChIKeyDKRRHDNJOMTKDM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.76
Rot. Bonds5

About 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide

1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide (PubChem CID 68571961) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide
PubChem CID68571961
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide
SMILESCCCCCC1CN(C)C(=O)C1C(N)=O
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-8-7-13(2)11(15)9(8)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)
InChIKeyDKRRHDNJOMTKDM-UHFFFAOYSA-N
XLogP0.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide (CID 68571961) is 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide is CCCCCC1CN(C)C(=O)C1C(N)=O.
What is the InChIKey of 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide?
The InChIKey is DKRRHDNJOMTKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-5-6-8-7-13(2)11(15)9(8)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide?
1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 68571961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).