6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile

C9H14N2 — CID 45095796

IUPAC6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCC(C)C1=C(C#N)CCCN1
InChIInChI=1S/C9H14N2/c1-7(2)9-8(6-10)4-3-5-11-9/h7,11H,3-5H2,1-2H3
InChIKeyQHWORMOOVGJJBZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.80
Rot. Bonds1

About 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile

6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 45095796) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID45095796
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESCC(C)C1=C(C#N)CCCN1
InChIInChI=1S/C9H14N2/c1-7(2)9-8(6-10)4-3-5-11-9/h7,11H,3-5H2,1-2H3
InChIKeyQHWORMOOVGJJBZ-UHFFFAOYSA-N
XLogP1.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 45095796) is 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile is CC(C)C1=C(C#N)CCCN1.
What is the InChIKey of 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is QHWORMOOVGJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-8(6-10)4-3-5-11-9/h7,11H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile?
6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 45095796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).