4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one

C15H22N2O2 — CID 82193106

IUPAC4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CC(N)C1c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-10(2)17-14(18)9-13(16)15(17)11-5-7-12(19-3)8-6-11/h5-8,10,13,15H,4,9,16H2,1-3H3
InChIKeyALJXOEWUJVOJAF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds4

About 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one

4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 82193106) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID82193106
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CC(N)C1c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-10(2)17-14(18)9-13(16)15(17)11-5-7-12(19-3)8-6-11/h5-8,10,13,15H,4,9,16H2,1-3H3
InChIKeyALJXOEWUJVOJAF-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one (CID 82193106) is 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one is CCC(C)N1C(=O)CC(N)C1c1ccc(OC)cc1.
What is the InChIKey of 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is ALJXOEWUJVOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10(2)17-14(18)9-13(16)15(17)11-5-7-12(19-3)8-6-11/h5-8,10,13,15H,4,9,16H2,1-3H3.
What are the key properties of 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one?
4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-butan-2-yl-5-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82193106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).