1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one

C16H18N2O2 — CID 115652503

IUPAC1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccoc1CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H18N2O2/c1-12-7-9-20-15(12)11-17-13-4-2-5-14(10-13)18-8-3-6-16(18)19/h2,4-5,7,9-10,17H,3,6,8,11H2,1H3
InChIKeyJWTQRYULGLXNRR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds4

About 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one

1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 115652503) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID115652503
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccoc1CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H18N2O2/c1-12-7-9-20-15(12)11-17-13-4-2-5-14(10-13)18-8-3-6-16(18)19/h2,4-5,7,9-10,17H,3,6,8,11H2,1H3
InChIKeyJWTQRYULGLXNRR-UHFFFAOYSA-N
XLogP3.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90605267
N-[(3-methylfuran-2-yl)methyl]-3-nitroaniline
CID 115884754

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one (CID 115652503) is 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one is Cc1ccoc1CNc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is JWTQRYULGLXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-7-9-20-15(12)11-17-13-4-2-5-14(10-13)18-8-3-6-16(18)19/h2,4-5,7,9-10,17H,3,6,8,11H2,1H3.
What are the key properties of 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 270.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 115652503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).