4-(4-amino-2-methylanilino)pyrrolidin-2-one

C11H15N3O — CID 106183059

IUPAC4-(4-amino-2-methylanilino)pyrrolidin-2-one
SMILESCc1cc(N)ccc1NC1CNC(=O)C1
InChIInChI=1S/C11H15N3O/c1-7-4-8(12)2-3-10(7)14-9-5-11(15)13-6-9/h2-4,9,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyOTDQIPDGIOUNAL-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.88
Rot. Bonds2

About 4-(4-amino-2-methylanilino)pyrrolidin-2-one

4-(4-amino-2-methylanilino)pyrrolidin-2-one (PubChem CID 106183059) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(4-amino-2-methylanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-2-methylanilino)pyrrolidin-2-one
PubChem CID106183059
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(4-amino-2-methylanilino)pyrrolidin-2-one
SMILESCc1cc(N)ccc1NC1CNC(=O)C1
InChIInChI=1S/C11H15N3O/c1-7-4-8(12)2-3-10(7)14-9-5-11(15)13-6-9/h2-4,9,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyOTDQIPDGIOUNAL-UHFFFAOYSA-N
XLogP0.88
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.88
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

4-(4-amino-2-chloroanilino)pyrrolidin-2-one
CID 106182668
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183083
5-(4-amino-2-fluoroanilino)piperidin-2-one
CID 63660993
ethyl 3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 114156991
3-amino-4-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182837
4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
2-amino-3-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182731
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 103952534

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylanilino)pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-2-methylanilino)pyrrolidin-2-one (CID 106183059) is 4-(4-amino-2-methylanilino)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-2-methylanilino)pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-2-methylanilino)pyrrolidin-2-one is Cc1cc(N)ccc1NC1CNC(=O)C1.
What is the InChIKey of 4-(4-amino-2-methylanilino)pyrrolidin-2-one?
The InChIKey is OTDQIPDGIOUNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-8(12)2-3-10(7)14-9-5-11(15)13-6-9/h2-4,9,14H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 4-(4-amino-2-methylanilino)pyrrolidin-2-one?
4-(4-amino-2-methylanilino)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylanilino)pyrrolidin-2-one is sourced from PubChem (CID 106183059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).