6-oxo-6-pyrrolidin-1-ylhexanamide

C10H18N2O2 — CID 54145539

IUPAC6-oxo-6-pyrrolidin-1-ylhexanamide
SMILESNC(=O)CCCCC(=O)N1CCCC1
InChIInChI=1S/C10H18N2O2/c11-9(13)5-1-2-6-10(14)12-7-3-4-8-12/h1-8H2,(H2,11,13)
InChIKeyOECUQWQIGXMPAN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.65
Rot. Bonds5

About 6-oxo-6-pyrrolidin-1-ylhexanamide

6-oxo-6-pyrrolidin-1-ylhexanamide (PubChem CID 54145539) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-oxo-6-pyrrolidin-1-ylhexanamide.

Molecular Properties

Compound Name6-oxo-6-pyrrolidin-1-ylhexanamide
PubChem CID54145539
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-oxo-6-pyrrolidin-1-ylhexanamide
SMILESNC(=O)CCCCC(=O)N1CCCC1
InChIInChI=1S/C10H18N2O2/c11-9(13)5-1-2-6-10(14)12-7-3-4-8-12/h1-8H2,(H2,11,13)
InChIKeyOECUQWQIGXMPAN-UHFFFAOYSA-N
XLogP0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-oxo-6-pyrrolidin-1-ylhexanamide?
The IUPAC name of 6-oxo-6-pyrrolidin-1-ylhexanamide (CID 54145539) is 6-oxo-6-pyrrolidin-1-ylhexanamide.
What is the SMILES notation for 6-oxo-6-pyrrolidin-1-ylhexanamide?
The canonical SMILES for 6-oxo-6-pyrrolidin-1-ylhexanamide is NC(=O)CCCCC(=O)N1CCCC1.
What is the InChIKey of 6-oxo-6-pyrrolidin-1-ylhexanamide?
The InChIKey is OECUQWQIGXMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9(13)5-1-2-6-10(14)12-7-3-4-8-12/h1-8H2,(H2,11,13).
What are the key properties of 6-oxo-6-pyrrolidin-1-ylhexanamide?
6-oxo-6-pyrrolidin-1-ylhexanamide has a molecular weight of 198.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-pyrrolidin-1-ylhexanamide is sourced from PubChem (CID 54145539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).