(4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine

C12H14N2 — CID 168932557

IUPAC(4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine
SMILESC/C1=c2\cccn\c2=N\C=C/CCC1
InChIInChI=1S/C12H14N2/c1-10-6-3-2-4-8-13-12-11(10)7-5-9-14-12/h4-5,7-9H,2-3,6H2,1H3/b8-4-,11-10-,13-12+
InChIKeyTWCALGWDLSXDSB-FREYKWCISA-N
MW186.26 g/mol
LogP1.57
Rot. Bonds

About (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine

(4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine (PubChem CID 168932557) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine.

Molecular Properties

Compound Name(4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine
PubChem CID168932557
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine
SMILESC/C1=c2\cccn\c2=N\C=C/CCC1
InChIInChI=1S/C12H14N2/c1-10-6-3-2-4-8-13-12-11(10)7-5-9-14-12/h4-5,7-9H,2-3,6H2,1H3/b8-4-,11-10-,13-12+
InChIKeyTWCALGWDLSXDSB-FREYKWCISA-N
XLogP1.57
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine?
The IUPAC name of (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine (CID 168932557) is (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine.
What is the SMILES notation for (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine?
The canonical SMILES for (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine is C/C1=c2\cccn\c2=N\C=C/CCC1.
What is the InChIKey of (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine?
The InChIKey is TWCALGWDLSXDSB-FREYKWCISA-N. The full InChI is InChI=1S/C12H14N2/c1-10-6-3-2-4-8-13-12-11(10)7-5-9-14-12/h4-5,7-9H,2-3,6H2,1H3/b8-4-,11-10-,13-12+.
What are the key properties of (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine?
(4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine has a molecular weight of 186.26 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,9Z)-5-methyl-7,8-dihydro-6H-pyrido[2,3-b]azonine is sourced from PubChem (CID 168932557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).