1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile

C8H10N2O — CID 131086113

IUPAC1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCC(=O)N1CC=C(C#N)CC1
InChIInChI=1S/C8H10N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h2H,3-5H2,1H3
InChIKeyLBBDQBSDQWVYLN-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.69
Rot. Bonds

About 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile

1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 131086113) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID131086113
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCC(=O)N1CC=C(C#N)CC1
InChIInChI=1S/C8H10N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h2H,3-5H2,1H3
InChIKeyLBBDQBSDQWVYLN-UHFFFAOYSA-N
XLogP0.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 131086113) is 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile is CC(=O)N1CC=C(C#N)CC1.
What is the InChIKey of 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is LBBDQBSDQWVYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h2H,3-5H2,1H3.
What are the key properties of 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 131086113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).