4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one

C11H18N4O — CID 66129776

IUPAC4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cncc1C1C(N)CC(=O)N1C
InChIInChI=1S/C11H18N4O/c1-3-4-15-7-13-6-9(15)11-8(12)5-10(16)14(11)2/h6-8,11H,3-5,12H2,1-2H3
InChIKeyYZVJGTPRNDDBDJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds3

About 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one

4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 66129776) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one
PubChem CID66129776
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cncc1C1C(N)CC(=O)N1C
InChIInChI=1S/C11H18N4O/c1-3-4-15-7-13-6-9(15)11-8(12)5-10(16)14(11)2/h6-8,11H,3-5,12H2,1-2H3
InChIKeyYZVJGTPRNDDBDJ-UHFFFAOYSA-N
XLogP0.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 66118126
6-amino-1-(2-methylpropyl)-7-(3-propylimidazol-4-yl)azepan-2-one
CID 66129381
1-methyl-7-oxo-2-(3-propylimidazol-4-yl)azepane-3-carboxylic acid
CID 66131567
6-amino-7-(3-ethylimidazol-4-yl)-1-propylazepan-2-one
CID 66133666
5-(oxiran-2-yl)-1-propylimidazole
CID 66130060
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 103573251
3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione
CID 79320574
N-[[1-methyl-2-(3-propylimidazol-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 66131370
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
3-(3-ethylimidazol-4-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 66135506
N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66130769

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one (CID 66129776) is 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one is CCCn1cncc1C1C(N)CC(=O)N1C.
What is the InChIKey of 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is YZVJGTPRNDDBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-4-15-7-13-6-9(15)11-8(12)5-10(16)14(11)2/h6-8,11H,3-5,12H2,1-2H3.
What are the key properties of 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one?
4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5-(3-propylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 66129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).