1-amino-4-methylpyrrolidin-2-one

C5H10N2O — CID 123339878

IUPAC1-amino-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(N)C1
InChIInChI=1S/C5H10N2O/c1-4-2-5(8)7(6)3-4/h4H,2-3,6H2,1H3
InChIKeyMPISTGZFPCXVBT-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.27
Rot. Bonds

About 1-amino-4-methylpyrrolidin-2-one

1-amino-4-methylpyrrolidin-2-one (PubChem CID 123339878) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-amino-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-amino-4-methylpyrrolidin-2-one
PubChem CID123339878
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-amino-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(N)C1
InChIInChI=1S/C5H10N2O/c1-4-2-5(8)7(6)3-4/h4H,2-3,6H2,1H3
InChIKeyMPISTGZFPCXVBT-UHFFFAOYSA-N
XLogP-0.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methylpyrrolidin-2-one?
The IUPAC name of 1-amino-4-methylpyrrolidin-2-one (CID 123339878) is 1-amino-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-amino-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-amino-4-methylpyrrolidin-2-one is CC1CC(=O)N(N)C1.
What is the InChIKey of 1-amino-4-methylpyrrolidin-2-one?
The InChIKey is MPISTGZFPCXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-2-5(8)7(6)3-4/h4H,2-3,6H2,1H3.
What are the key properties of 1-amino-4-methylpyrrolidin-2-one?
1-amino-4-methylpyrrolidin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methylpyrrolidin-2-one is sourced from PubChem (CID 123339878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).