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

C14H20N2O3 — CID 114390169

IUPAC4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
SMILESCOCC1=CCN(C(=O)C2(C#N)CCOCC2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-10-12-2-6-16(7-3-12)13(17)14(11-15)4-8-19-9-5-14/h2H,3-10H2,1H3
InChIKeyARBZZVINMABZTE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds3

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

4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile (PubChem CID 114390169) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
PubChem CID114390169
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
SMILESCOCC1=CCN(C(=O)C2(C#N)CCOCC2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-10-12-2-6-16(7-3-12)13(17)14(11-15)4-8-19-9-5-14/h2H,3-10H2,1H3
InChIKeyARBZZVINMABZTE-UHFFFAOYSA-N
XLogP1.11
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
The IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile (CID 114390169) is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile is COCC1=CCN(C(=O)C2(C#N)CCOCC2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
The InChIKey is ARBZZVINMABZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-10-12-2-6-16(7-3-12)13(17)14(11-15)4-8-19-9-5-14/h2H,3-10H2,1H3.
What are the key properties of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile has a molecular weight of 264.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile is sourced from PubChem (CID 114390169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).