4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile

C11H14N2O — CID 177254476

IUPAC4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile
SMILESCC1(C#N)C=C(OC2CCC2)C=CN1
InChIInChI=1S/C11H14N2O/c1-11(8-12)7-10(5-6-13-11)14-9-3-2-4-9/h5-7,9,13H,2-4H2,1H3
InChIKeySDAOFEWYEVNBJA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.84
Rot. Bonds2

About 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile

4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile (PubChem CID 177254476) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile
PubChem CID177254476
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile
SMILESCC1(C#N)C=C(OC2CCC2)C=CN1
InChIInChI=1S/C11H14N2O/c1-11(8-12)7-10(5-6-13-11)14-9-3-2-4-9/h5-7,9,13H,2-4H2,1H3
InChIKeySDAOFEWYEVNBJA-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1,1-Trifluoropropan-2-yloxy)-1,2-dihydropyridine-2-carbonitrile
CID 143808999
(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile
CID 173468425

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile (CID 177254476) is 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile is CC1(C#N)C=C(OC2CCC2)C=CN1.
What is the InChIKey of 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile?
The InChIKey is SDAOFEWYEVNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(8-12)7-10(5-6-13-11)14-9-3-2-4-9/h5-7,9,13H,2-4H2,1H3.
What are the key properties of 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile?
4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-2-methyl-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 177254476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).