1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile

C12H16N2O2 — CID 82524101

IUPAC1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCn1c(C(C)C)ccc(C#N)c1=O
InChIInChI=1S/C12H16N2O2/c1-9(2)11-5-4-10(8-13)12(15)14(11)6-7-16-3/h4-5,9H,6-7H2,1-3H3
InChIKeyLRHZMTPGOBNNPW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.49
Rot. Bonds4

About 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile

1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 82524101) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID82524101
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCn1c(C(C)C)ccc(C#N)c1=O
InChIInChI=1S/C12H16N2O2/c1-9(2)11-5-4-10(8-13)12(15)14(11)6-7-16-3/h4-5,9H,6-7H2,1-3H3
InChIKeyLRHZMTPGOBNNPW-UHFFFAOYSA-N
XLogP1.49
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile (CID 82524101) is 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile is COCCn1c(C(C)C)ccc(C#N)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is LRHZMTPGOBNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)11-5-4-10(8-13)12(15)14(11)6-7-16-3/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile?
1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82524101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).