N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide

C12H23N3O2 — CID 72743644

IUPACN-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide
SMILESCC(=O)NCCCCC(N)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2/c1-10(16)14-7-3-2-6-11(13)12(17)15-8-4-5-9-15/h11H,2-9,13H2,1H3,(H,14,16)
InChIKeyIUYHTSIHYRNPTR-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds6

About N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide

N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide (PubChem CID 72743644) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide
PubChem CID72743644
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide
SMILESCC(=O)NCCCCC(N)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2/c1-10(16)14-7-3-2-6-11(13)12(17)15-8-4-5-9-15/h11H,2-9,13H2,1H3,(H,14,16)
InChIKeyIUYHTSIHYRNPTR-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
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 N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide?
The IUPAC name of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide (CID 72743644) is N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide.
What is the SMILES notation for N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide?
The canonical SMILES for N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide is CC(=O)NCCCCC(N)C(=O)N1CCCC1.
What is the InChIKey of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide?
The InChIKey is IUYHTSIHYRNPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(16)14-7-3-2-6-11(13)12(17)15-8-4-5-9-15/h11H,2-9,13H2,1H3,(H,14,16).
What are the key properties of N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide?
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide is sourced from PubChem (CID 72743644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).