8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde

C14H19NO3 — CID 139399554

IUPAC8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde
SMILESCCOC1=CC2=C(CC=C1OC)CCN(C=O)C2
InChIInChI=1S/C14H19NO3/c1-3-18-14-8-12-9-15(10-16)7-6-11(12)4-5-13(14)17-2/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyAENSBRMZVSWPCN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.00
Rot. Bonds4

About 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde

8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde (PubChem CID 139399554) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde
PubChem CID139399554
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde
SMILESCCOC1=CC2=C(CC=C1OC)CCN(C=O)C2
InChIInChI=1S/C14H19NO3/c1-3-18-14-8-12-9-15(10-16)7-6-11(12)4-5-13(14)17-2/h5,8,10H,3-4,6-7,9H2,1-2H3
InChIKeyAENSBRMZVSWPCN-UHFFFAOYSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde?
The IUPAC name of 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde (CID 139399554) is 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde.
What is the SMILES notation for 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde?
The canonical SMILES for 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde is CCOC1=CC2=C(CC=C1OC)CCN(C=O)C2.
What is the InChIKey of 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde?
The InChIKey is AENSBRMZVSWPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14-8-12-9-15(10-16)7-6-11(12)4-5-13(14)17-2/h5,8,10H,3-4,6-7,9H2,1-2H3.
What are the key properties of 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde?
8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-methoxy-1,3,4,5-tetrahydrocyclohepta[c]pyridine-2-carbaldehyde is sourced from PubChem (CID 139399554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).