3,3-dimethyl-5-methyliminopyrrolidin-2-one

C7H12N2O — CID 135830855

IUPAC3,3-dimethyl-5-methyliminopyrrolidin-2-one
SMILESC/N=C1\CC(C)(C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-7(2)4-5(8-3)9-6(7)10/h4H2,1-3H3,(H,8,9,10)
InChIKeyLLQZVHOGRCGQCL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.56
Rot. Bonds

About 3,3-dimethyl-5-methyliminopyrrolidin-2-one

3,3-dimethyl-5-methyliminopyrrolidin-2-one (PubChem CID 135830855) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,3-dimethyl-5-methyliminopyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-methyliminopyrrolidin-2-one
PubChem CID135830855
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,3-dimethyl-5-methyliminopyrrolidin-2-one
SMILESC/N=C1\CC(C)(C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-7(2)4-5(8-3)9-6(7)10/h4H2,1-3H3,(H,8,9,10)
InChIKeyLLQZVHOGRCGQCL-UHFFFAOYSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis(2,2,6,6-tetramethylpiperidin-4-one);hydrochloride
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5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one
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7,7,9,9-tetramethyl-2-methylimino-1,3-diazaspiro[4.5]decan-4-one
CID 136998359
3-methyl-3-sulfanylpyrrolidine-2,5-dione
CID 159261890
CID 59112187
CID 59112187
7,9,9-trimethyl-5,6,7,8-tetrahydro-3H-cyclohepta[d]pyrimidin-4-one
CID 142252977
3,3,7,8-tetramethyl-2,5-dihydro-1,5-benzoxazepin-4-one
CID 82230897
2,2,6-trimethylcyclohexane-1,4-dione
CID 30181
1,3,3-trimethyl-5-methylidenepyrrolidin-2-one
CID 132820770

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methyliminopyrrolidin-2-one?
The IUPAC name of 3,3-dimethyl-5-methyliminopyrrolidin-2-one (CID 135830855) is 3,3-dimethyl-5-methyliminopyrrolidin-2-one.
What is the SMILES notation for 3,3-dimethyl-5-methyliminopyrrolidin-2-one?
The canonical SMILES for 3,3-dimethyl-5-methyliminopyrrolidin-2-one is C/N=C1\CC(C)(C)C(=O)N1.
What is the InChIKey of 3,3-dimethyl-5-methyliminopyrrolidin-2-one?
The InChIKey is LLQZVHOGRCGQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2)4-5(8-3)9-6(7)10/h4H2,1-3H3,(H,8,9,10).
What are the key properties of 3,3-dimethyl-5-methyliminopyrrolidin-2-one?
3,3-dimethyl-5-methyliminopyrrolidin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methyliminopyrrolidin-2-one is sourced from PubChem (CID 135830855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).