1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one

C16H24N2O2 — CID 81411006

IUPAC1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
SMILESCCC(C)(CO)CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H24N2O2/c1-3-16(2,12-19)11-17-13-6-4-7-14(10-13)18-9-5-8-15(18)20/h4,6-7,10,17,19H,3,5,8-9,11-12H2,1-2H3
InChIKeyZXNLWTPQIUECRH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.63
Rot. Bonds6

About 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one

1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one (PubChem CID 81411006) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
PubChem CID81411006
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
SMILESCCC(C)(CO)CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H24N2O2/c1-3-16(2,12-19)11-17-13-6-4-7-14(10-13)18-9-5-8-15(18)20/h4,6-7,10,17,19H,3,5,8-9,11-12H2,1-2H3
InChIKeyZXNLWTPQIUECRH-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one (CID 81411006) is 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one is CCC(C)(CO)CNc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is ZXNLWTPQIUECRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(2,12-19)11-17-13-6-4-7-14(10-13)18-9-5-8-15(18)20/h4,6-7,10,17,19H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one?
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 81411006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).