(9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine

C11H12N2 — CID 123439244

IUPAC(9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine
SMILESC/C1=N/C=C\C2N=CCC=C2C=C1
InChIInChI=1S/C11H12N2/c1-9-4-5-10-3-2-7-13-11(10)6-8-12-9/h3-8,11H,2H2,1H3/b5-4?,8-6-,12-9-
InChIKeyJGHGAYVKMHQCGJ-JYJBXAJISA-N
MW172.23 g/mol
LogP2.30
Rot. Bonds

About (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine

(9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine (PubChem CID 123439244) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine.

Molecular Properties

Compound Name(9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine
PubChem CID123439244
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine
SMILESC/C1=N/C=C\C2N=CCC=C2C=C1
InChIInChI=1S/C11H12N2/c1-9-4-5-10-3-2-7-13-11(10)6-8-12-9/h3-8,11H,2H2,1H3/b5-4?,8-6-,12-9-
InChIKeyJGHGAYVKMHQCGJ-JYJBXAJISA-N
XLogP2.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzazocine
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2H-1,4-Benzodiazepine
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Pyrrolo-[3,2-f]indole
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Pyrrolo[3,4 b]carbazole
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Pyrroloindole
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Pyrrolobenzazepine
CID 88072644
(4E,6Z)-4-(1-fluoroethenyl)-5-[(1R)-1-[[(2Z,4E)-hexa-2,4-dienylidene]amino]propyl]-7-methyl-N-[(Z)-prop-1-enyl]nona-1,4,6,8-tetraen-3-imine
CID 173799592
Dibenzo[b,f][1,4]diazocine
CID 11969075

Frequently Asked Questions

What is the IUPAC name of (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine?
The IUPAC name of (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine (CID 123439244) is (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine.
What is the SMILES notation for (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine?
The canonical SMILES for (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine is C/C1=N/C=C\C2N=CCC=C2C=C1.
What is the InChIKey of (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine?
The InChIKey is JGHGAYVKMHQCGJ-JYJBXAJISA-N. The full InChI is InChI=1S/C11H12N2/c1-9-4-5-10-3-2-7-13-11(10)6-8-12-9/h3-8,11H,2H2,1H3/b5-4?,8-6-,12-9-.
What are the key properties of (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine?
(9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine has a molecular weight of 172.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-7-methyl-3,10a-dihydropyrido[2,3-d]azocine is sourced from PubChem (CID 123439244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).