(9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine

C10H14N2 — CID 58637574

IUPAC(9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine
SMILESC[C@]12CN=CCC=C1CCC=N2
InChIInChI=1S/C10H14N2/c1-10-8-11-6-2-4-9(10)5-3-7-12-10/h4,6-7H,2-3,5,8H2,1H3/t10-/m0/s1
InChIKeyNBQMYZPNRQPTJN-JTQLQIEISA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds

About (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine

(9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine (PubChem CID 58637574) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine.

Molecular Properties

Compound Name(9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine
PubChem CID58637574
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine
SMILESC[C@]12CN=CCC=C1CCC=N2
InChIInChI=1S/C10H14N2/c1-10-8-11-6-2-4-9(10)5-3-7-12-10/h4,6-7H,2-3,5,8H2,1H3/t10-/m0/s1
InChIKeyNBQMYZPNRQPTJN-JTQLQIEISA-N
XLogP2.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine
CID 58637675
9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
CID 158184020
9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
CID 160535336
9a-Methyl-3,4,6,9-tetrahydrocyclohepta[b]pyridine;methane
CID 161905032

Frequently Asked Questions

What is the IUPAC name of (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine?
The IUPAC name of (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine (CID 58637574) is (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine.
What is the SMILES notation for (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine?
The canonical SMILES for (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine is C[C@]12CN=CCC=C1CCC=N2.
What is the InChIKey of (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine?
The InChIKey is NBQMYZPNRQPTJN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2/c1-10-8-11-6-2-4-9(10)5-3-7-12-10/h4,6-7H,2-3,5,8H2,1H3/t10-/m0/s1.
What are the key properties of (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine?
(9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine has a molecular weight of 162.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-9a-methyl-3,4,6,9-tetrahydropyrido[2,3-c]azepine is sourced from PubChem (CID 58637574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).