4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one

C15H22N2O2 — CID 82193025

IUPAC4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one
SMILESCC(C)COc1ccc(C2C(N)CC(=O)N2C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)9-19-12-6-4-11(5-7-12)15-13(16)8-14(18)17(15)3/h4-7,10,13,15H,8-9,16H2,1-3H3
InChIKeyMLCOYDVJCPYSPC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one

4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one (PubChem CID 82193025) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one
PubChem CID82193025
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one
SMILESCC(C)COc1ccc(C2C(N)CC(=O)N2C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)9-19-12-6-4-11(5-7-12)15-13(16)8-14(18)17(15)3/h4-7,10,13,15H,8-9,16H2,1-3H3
InChIKeyMLCOYDVJCPYSPC-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 82193026
4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 82193106
6-amino-1-methyl-7-(4-phenylmethoxyphenyl)azepan-2-one
CID 113235020
(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 95328761
1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 66479503
5-(4-butoxyphenyl)-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-1-methylpyrrolidine-2,3-dione
CID 73262950
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 117022534
7-[4-(2-methylpropoxy)phenyl]-4-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061191
(4Z)-1-cyclopentyl-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586414

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one (CID 82193025) is 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one is CC(C)COc1ccc(C2C(N)CC(=O)N2C)cc1.
What is the InChIKey of 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one?
The InChIKey is MLCOYDVJCPYSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)9-19-12-6-4-11(5-7-12)15-13(16)8-14(18)17(15)3/h4-7,10,13,15H,8-9,16H2,1-3H3.
What are the key properties of 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one?
4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5-[4-(2-methylpropoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 82193025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).