1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile

C9H12N2O2 — CID 130621895

IUPAC1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESC[C@@H](O)C(=O)N1CC=C(C#N)CC1
InChIInChI=1S/C9H12N2O2/c1-7(12)9(13)11-4-2-8(6-10)3-5-11/h2,7,12H,3-5H2,1H3/t7-/m1/s1
InChIKeyPJKUUIYLKSBRNF-SSDOTTSWSA-N
MW180.21 g/mol
LogP0.05
Rot. Bonds1

About 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile

1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 130621895) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID130621895
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESC[C@@H](O)C(=O)N1CC=C(C#N)CC1
InChIInChI=1S/C9H12N2O2/c1-7(12)9(13)11-4-2-8(6-10)3-5-11/h2,7,12H,3-5H2,1H3/t7-/m1/s1
InChIKeyPJKUUIYLKSBRNF-SSDOTTSWSA-N
XLogP0.05
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 130621895) is 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile is C[C@@H](O)C(=O)N1CC=C(C#N)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is PJKUUIYLKSBRNF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)9(13)11-4-2-8(6-10)3-5-11/h2,7,12H,3-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 180.21 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 130621895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).