3-methyl-5-methyliminopyrrolidin-2-one

C6H10N2O — CID 135989661

IUPAC3-methyl-5-methyliminopyrrolidin-2-one
SMILESC/N=C1\CC(C)C(=O)N1
InChIInChI=1S/C6H10N2O/c1-4-3-5(7-2)8-6(4)9/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyWHPNFTJLHKFZAB-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.17
Rot. Bonds

About 3-methyl-5-methyliminopyrrolidin-2-one

3-methyl-5-methyliminopyrrolidin-2-one (PubChem CID 135989661) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-methyl-5-methyliminopyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-methyliminopyrrolidin-2-one
PubChem CID135989661
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-methyl-5-methyliminopyrrolidin-2-one
SMILESC/N=C1\CC(C)C(=O)N1
InChIInChI=1S/C6H10N2O/c1-4-3-5(7-2)8-6(4)9/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyWHPNFTJLHKFZAB-UHFFFAOYSA-N
XLogP0.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
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 3-methyl-5-methyliminopyrrolidin-2-one?
The IUPAC name of 3-methyl-5-methyliminopyrrolidin-2-one (CID 135989661) is 3-methyl-5-methyliminopyrrolidin-2-one.
What is the SMILES notation for 3-methyl-5-methyliminopyrrolidin-2-one?
The canonical SMILES for 3-methyl-5-methyliminopyrrolidin-2-one is C/N=C1\CC(C)C(=O)N1.
What is the InChIKey of 3-methyl-5-methyliminopyrrolidin-2-one?
The InChIKey is WHPNFTJLHKFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-3-5(7-2)8-6(4)9/h4H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 3-methyl-5-methyliminopyrrolidin-2-one?
3-methyl-5-methyliminopyrrolidin-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methyliminopyrrolidin-2-one is sourced from PubChem (CID 135989661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).