1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one

C15H22N2O2 — CID 62327203

IUPAC1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCCC(C)Oc1cccc(N2CCC(NC)C2=O)c1
InChIInChI=1S/C15H22N2O2/c1-4-11(2)19-13-7-5-6-12(10-13)17-9-8-14(16-3)15(17)18/h5-7,10-11,14,16H,4,8-9H2,1-3H3
InChIKeyHYXUUMOWGOCCAR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds5

About 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one

1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one (PubChem CID 62327203) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one
PubChem CID62327203
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one
SMILESCCC(C)Oc1cccc(N2CCC(NC)C2=O)c1
InChIInChI=1S/C15H22N2O2/c1-4-11(2)19-13-7-5-6-12(10-13)17-9-8-14(16-3)15(17)18/h5-7,10-11,14,16H,4,8-9H2,1-3H3
InChIKeyHYXUUMOWGOCCAR-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one (CID 62327203) is 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one is CCC(C)Oc1cccc(N2CCC(NC)C2=O)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one?
The InChIKey is HYXUUMOWGOCCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11(2)19-13-7-5-6-12(10-13)17-9-8-14(16-3)15(17)18/h5-7,10-11,14,16H,4,8-9H2,1-3H3.
What are the key properties of 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one?
1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 62327203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).