2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde

C11H14N2O — CID 143612175

IUPAC2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde
SMILESCc1ccc2c(n1)CCN(C=O)CC2
InChIInChI=1S/C11H14N2O/c1-9-2-3-10-4-6-13(8-14)7-5-11(10)12-9/h2-3,8H,4-7H2,1H3
InChIKeyHIUKCUZEEHGNJK-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.95
Rot. Bonds1

About 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde

2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde (PubChem CID 143612175) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde
PubChem CID143612175
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde
SMILESCc1ccc2c(n1)CCN(C=O)CC2
InChIInChI=1S/C11H14N2O/c1-9-2-3-10-4-6-13(8-14)7-5-11(10)12-9/h2-3,8H,4-7H2,1H3
InChIKeyHIUKCUZEEHGNJK-UHFFFAOYSA-N
XLogP0.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde?
The IUPAC name of 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde (CID 143612175) is 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde.
What is the SMILES notation for 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde?
The canonical SMILES for 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde is Cc1ccc2c(n1)CCN(C=O)CC2.
What is the InChIKey of 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde?
The InChIKey is HIUKCUZEEHGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-2-3-10-4-6-13(8-14)7-5-11(10)12-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde?
2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde is sourced from PubChem (CID 143612175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).