6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde

C14H18N2O2 — CID 142511708

IUPAC6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde
SMILESCc1ccc(C=O)c(N2CC3(CCOCC3)C2)n1
InChIInChI=1S/C14H18N2O2/c1-11-2-3-12(8-17)13(15-11)16-9-14(10-16)4-6-18-7-5-14/h2-3,8H,4-7,9-10H2,1H3
InChIKeyQQUJAEAIRZSLKD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds2

About 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde

6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde (PubChem CID 142511708) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde
PubChem CID142511708
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde
SMILESCc1ccc(C=O)c(N2CC3(CCOCC3)C2)n1
InChIInChI=1S/C14H18N2O2/c1-11-2-3-12(8-17)13(15-11)16-9-14(10-16)4-6-18-7-5-14/h2-3,8H,4-7,9-10H2,1H3
InChIKeyQQUJAEAIRZSLKD-UHFFFAOYSA-N
XLogP1.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde (CID 142511708) is 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde is Cc1ccc(C=O)c(N2CC3(CCOCC3)C2)n1.
What is the InChIKey of 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde?
The InChIKey is QQUJAEAIRZSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-2-3-12(8-17)13(15-11)16-9-14(10-16)4-6-18-7-5-14/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde?
6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde has a molecular weight of 246.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 142511708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).