2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H21N3 — CID 55162712

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)CCCN1c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C16H21N3/c1-16(2)8-5-9-19(16)15-13(11-17)10-12-6-3-4-7-14(12)18-15/h10H,3-9H2,1-2H3
InChIKeyHHOWJGXWYKSBQJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.21
Rot. Bonds1

About 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 55162712) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID55162712
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)CCCN1c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C16H21N3/c1-16(2)8-5-9-19(16)15-13(11-17)10-12-6-3-4-7-14(12)18-15/h10H,3-9H2,1-2H3
InChIKeyHHOWJGXWYKSBQJ-UHFFFAOYSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 55162712) is 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1(C)CCCN1c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is HHOWJGXWYKSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)8-5-9-19(16)15-13(11-17)10-12-6-3-4-7-14(12)18-15/h10H,3-9H2,1-2H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 55162712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).