(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one

C6H12N2O2 — CID 164673460

IUPAC(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one
SMILESCON[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C6H12N2O2/c1-8-4-5(7-10-2)3-6(8)9/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyLMVBWOCJONJXEK-RXMQYKEDSA-N
MW144.17 g/mol
LogP-0.63
Rot. Bonds2

About (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one

(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one (PubChem CID 164673460) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one
PubChem CID164673460
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one
SMILESCON[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C6H12N2O2/c1-8-4-5(7-10-2)3-6(8)9/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyLMVBWOCJONJXEK-RXMQYKEDSA-N
XLogP-0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one (CID 164673460) is (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one is CON[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one?
The InChIKey is LMVBWOCJONJXEK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-4-5(7-10-2)3-6(8)9/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one?
(4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxyamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 164673460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).