3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one

C11H18N4O — CID 106259446

IUPAC3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCC[C@@H](N)c1cncn1C1CCN(C)C1=O
InChIInChI=1S/C11H18N4O/c1-3-8(12)10-6-13-7-15(10)9-4-5-14(2)11(9)16/h6-9H,3-5,12H2,1-2H3/t8-,9?/m1/s1
InChIKeyIWESUODBJFRNDJ-VEDVMXKPSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds3

About 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one

3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 106259446) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID106259446
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCC[C@@H](N)c1cncn1C1CCN(C)C1=O
InChIInChI=1S/C11H18N4O/c1-3-8(12)10-6-13-7-15(10)9-4-5-14(2)11(9)16/h6-9H,3-5,12H2,1-2H3/t8-,9?/m1/s1
InChIKeyIWESUODBJFRNDJ-VEDVMXKPSA-N
XLogP0.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one (CID 106259446) is 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one is CC[C@@H](N)c1cncn1C1CCN(C)C1=O.
What is the InChIKey of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is IWESUODBJFRNDJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-8(12)10-6-13-7-15(10)9-4-5-14(2)11(9)16/h6-9H,3-5,12H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106259446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).