1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one

C12H20N4O — CID 114164351

IUPAC1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
SMILESCCCn1ccnc1CNC1CCN(C)C1=O
InChIInChI=1S/C12H20N4O/c1-3-6-16-8-5-13-11(16)9-14-10-4-7-15(2)12(10)17/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyNLBRBAKWYXQOFA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds5

About 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one

1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 114164351) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
PubChem CID114164351
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
SMILESCCCn1ccnc1CNC1CCN(C)C1=O
InChIInChI=1S/C12H20N4O/c1-3-6-16-8-5-13-11(16)9-14-10-4-7-15(2)12(10)17/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyNLBRBAKWYXQOFA-UHFFFAOYSA-N
XLogP0.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253585
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 103965567
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 83032603
1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72857945
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 55153468
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one (CID 114164351) is 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one is CCCn1ccnc1CNC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is NLBRBAKWYXQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-6-16-8-5-13-11(16)9-14-10-4-7-15(2)12(10)17/h5,8,10,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one?
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 114164351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).