5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile

C16H15N3O2 — CID 115652504

IUPAC5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C16H15N3O2/c17-10-14-6-7-15(21-14)11-18-12-3-1-4-13(9-12)19-8-2-5-16(19)20/h1,3-4,6-7,9,18H,2,5,8,11H2
InChIKeyIPTDWHKMKIYWQN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.89
Rot. Bonds4

About 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile

5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile (PubChem CID 115652504) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
PubChem CID115652504
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc(N3CCCC3=O)c2)o1
InChIInChI=1S/C16H15N3O2/c17-10-14-6-7-15(21-14)11-18-12-3-1-4-13(9-12)19-8-2-5-16(19)20/h1,3-4,6-7,9,18H,2,5,8,11H2
InChIKeyIPTDWHKMKIYWQN-UHFFFAOYSA-N
XLogP2.89
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743185
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
5-[(3-fluoro-4-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743234
1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43205667
6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile
CID 133418227
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile (CID 115652504) is 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2cccc(N3CCCC3=O)c2)o1.
What is the InChIKey of 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
The InChIKey is IPTDWHKMKIYWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-10-14-6-7-15(21-14)11-18-12-3-1-4-13(9-12)19-8-2-5-16(19)20/h1,3-4,6-7,9,18H,2,5,8,11H2.
What are the key properties of 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).