1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile

C13H18N2O2 — CID 114390116

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCOCC1=CCN(C(=O)C2(C#N)CCC2)CC1
InChIInChI=1S/C13H18N2O2/c1-17-9-11-3-7-15(8-4-11)12(16)13(10-14)5-2-6-13/h3H,2,4-9H2,1H3
InChIKeyOFXGIFQXJOZEKL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.49
Rot. Bonds3

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 114390116) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID114390116
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESCOCC1=CCN(C(=O)C2(C#N)CCC2)CC1
InChIInChI=1S/C13H18N2O2/c1-17-9-11-3-7-15(8-4-11)12(16)13(10-14)5-2-6-13/h3H,2,4-9H2,1H3
InChIKeyOFXGIFQXJOZEKL-UHFFFAOYSA-N
XLogP1.49
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile (CID 114390116) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile is COCC1=CCN(C(=O)C2(C#N)CCC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is OFXGIFQXJOZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-9-11-3-7-15(8-4-11)12(16)13(10-14)5-2-6-13/h3H,2,4-9H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 114390116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).