5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one

C12H17N3O — CID 115550587

IUPAC5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one
SMILESCc1cccc(N)c1NCC1CCC(=O)N1
InChIInChI=1S/C12H17N3O/c1-8-3-2-4-10(13)12(8)14-7-9-5-6-11(16)15-9/h2-4,9,14H,5-7,13H2,1H3,(H,15,16)
InChIKeyJXNGHHFSLYCQQM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.27
Rot. Bonds3

About 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one

5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one (PubChem CID 115550587) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one
PubChem CID115550587
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one
SMILESCc1cccc(N)c1NCC1CCC(=O)N1
InChIInChI=1S/C12H17N3O/c1-8-3-2-4-10(13)12(8)14-7-9-5-6-11(16)15-9/h2-4,9,14H,5-7,13H2,1H3,(H,15,16)
InChIKeyJXNGHHFSLYCQQM-UHFFFAOYSA-N
XLogP1.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-[(5-oxopyrrolidin-2-yl)methylamino]benzoate
CID 115935115
5-[(3-amino-5-methylanilino)methyl]pyrrolidin-2-one
CID 112647859
2-[(2-amino-6-methylanilino)methyl]cyclohexan-1-ol
CID 115550610
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one
CID 107529499
(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 141078098
(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 166271449
5-[[(3-bromo-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 106875761
2-N-(1,4-dioxan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 115550175
5-amino-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide
CID 114406770
5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
CID 107529293

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one (CID 115550587) is 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one is Cc1cccc(N)c1NCC1CCC(=O)N1.
What is the InChIKey of 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one?
The InChIKey is JXNGHHFSLYCQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-2-4-10(13)12(8)14-7-9-5-6-11(16)15-9/h2-4,9,14H,5-7,13H2,1H3,(H,15,16).
What are the key properties of 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one?
5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 115550587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).