(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine

C10H12N2 — CID 90153623

IUPAC(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
SMILESC[C@H]1CC=c2ncccc2=NC1
InChIInChI=1S/C10H12N2/c1-8-4-5-10-9(12-7-8)3-2-6-11-10/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
InChIKeySRENUNTUABRIBH-QMMMGPOBSA-N
MW160.22 g/mol
LogP0.52
Rot. Bonds

About (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine

(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine (PubChem CID 90153623) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine.

Molecular Properties

Compound Name(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
PubChem CID90153623
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
SMILESC[C@H]1CC=c2ncccc2=NC1
InChIInChI=1S/C10H12N2/c1-8-4-5-10-9(12-7-8)3-2-6-11-10/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1
InChIKeySRENUNTUABRIBH-QMMMGPOBSA-N
XLogP0.52
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine?
The IUPAC name of (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine (CID 90153623) is (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine.
What is the SMILES notation for (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine?
The canonical SMILES for (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine is C[C@H]1CC=c2ncccc2=NC1.
What is the InChIKey of (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine?
The InChIKey is SRENUNTUABRIBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-4-5-10-9(12-7-8)3-2-6-11-10/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1.
What are the key properties of (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine?
(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine has a molecular weight of 160.22 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine is sourced from PubChem (CID 90153623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).