7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde

C12H15NO — CID 143407693

IUPAC7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde
SMILESCC1=CC=C2C(=CC1)CCCN2C=O
InChIInChI=1S/C12H15NO/c1-10-4-6-11-3-2-8-13(9-14)12(11)7-5-10/h5-7,9H,2-4,8H2,1H3
InChIKeyXOECWELYMPUGLR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.40
Rot. Bonds1

About 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde

7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde (PubChem CID 143407693) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde
PubChem CID143407693
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde
SMILESCC1=CC=C2C(=CC1)CCCN2C=O
InChIInChI=1S/C12H15NO/c1-10-4-6-11-3-2-8-13(9-14)12(11)7-5-10/h5-7,9H,2-4,8H2,1H3
InChIKeyXOECWELYMPUGLR-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde?
The IUPAC name of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde (CID 143407693) is 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde.
What is the SMILES notation for 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde?
The canonical SMILES for 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde is CC1=CC=C2C(=CC1)CCCN2C=O.
What is the InChIKey of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde?
The InChIKey is XOECWELYMPUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-4-6-11-3-2-8-13(9-14)12(11)7-5-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde?
7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyridine-1-carbaldehyde is sourced from PubChem (CID 143407693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).