1-methyl-3-methyliminopyrrolidin-2-one

C6H10N2O — CID 18787551

IUPAC1-methyl-3-methyliminopyrrolidin-2-one
SMILESC/N=C1\CCN(C)C1=O
InChIInChI=1S/C6H10N2O/c1-7-5-3-4-8(2)6(5)9/h3-4H2,1-2H3/b7-5+
InChIKeyRAIBJRUFTBHGTA-FNORWQNLSA-N
MW126.16 g/mol
LogP-0.08
Rot. Bonds

About 1-methyl-3-methyliminopyrrolidin-2-one

1-methyl-3-methyliminopyrrolidin-2-one (PubChem CID 18787551) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-methyl-3-methyliminopyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-methyliminopyrrolidin-2-one
PubChem CID18787551
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-methyl-3-methyliminopyrrolidin-2-one
SMILESC/N=C1\CCN(C)C1=O
InChIInChI=1S/C6H10N2O/c1-7-5-3-4-8(2)6(5)9/h3-4H2,1-2H3/b7-5+
InChIKeyRAIBJRUFTBHGTA-FNORWQNLSA-N
XLogP-0.08
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methyliminopyrrolidin-2-one?
The IUPAC name of 1-methyl-3-methyliminopyrrolidin-2-one (CID 18787551) is 1-methyl-3-methyliminopyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-methyliminopyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-methyliminopyrrolidin-2-one is C/N=C1\CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-methyliminopyrrolidin-2-one?
The InChIKey is RAIBJRUFTBHGTA-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2O/c1-7-5-3-4-8(2)6(5)9/h3-4H2,1-2H3/b7-5+.
What are the key properties of 1-methyl-3-methyliminopyrrolidin-2-one?
1-methyl-3-methyliminopyrrolidin-2-one has a molecular weight of 126.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methyliminopyrrolidin-2-one is sourced from PubChem (CID 18787551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).