5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile

C15H19N3O — CID 142484869

IUPAC5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile
SMILESCN1CC(C2C3=C(C=CC2C#N)NCCC3)CC1=O
InChIInChI=1S/C15H19N3O/c1-18-9-11(7-14(18)19)15-10(8-16)4-5-13-12(15)3-2-6-17-13/h4-5,10-11,15,17H,2-3,6-7,9H2,1H3
InChIKeyFWFACPYEQSOLDB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.43
Rot. Bonds1

About 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile

5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile (PubChem CID 142484869) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile.

Molecular Properties

Compound Name5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile
PubChem CID142484869
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile
SMILESCN1CC(C2C3=C(C=CC2C#N)NCCC3)CC1=O
InChIInChI=1S/C15H19N3O/c1-18-9-11(7-14(18)19)15-10(8-16)4-5-13-12(15)3-2-6-17-13/h4-5,10-11,15,17H,2-3,6-7,9H2,1H3
InChIKeyFWFACPYEQSOLDB-UHFFFAOYSA-N
XLogP1.43
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile?
The IUPAC name of 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile (CID 142484869) is 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile.
What is the SMILES notation for 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile?
The canonical SMILES for 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile is CN1CC(C2C3=C(C=CC2C#N)NCCC3)CC1=O.
What is the InChIKey of 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile?
The InChIKey is FWFACPYEQSOLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-9-11(7-14(18)19)15-10(8-16)4-5-13-12(15)3-2-6-17-13/h4-5,10-11,15,17H,2-3,6-7,9H2,1H3.
What are the key properties of 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile?
5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-oxopyrrolidin-3-yl)-1,2,3,4,5,6-hexahydroquinoline-6-carbonitrile is sourced from PubChem (CID 142484869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).