8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene

C19H21N3O — CID 171972761

IUPAC8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCOc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)nn1
InChIInChI=1S/C19H21N3O/c1-23-19-10-9-18(20-21-19)15-11-16-7-8-17(12-15)22(16)13-14-5-3-2-4-6-14/h2-6,9-11,16-17H,7-8,12-13H2,1H3
InChIKeyZOOLQBDGFQHRHH-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.31
Rot. Bonds4

About 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171972761) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171972761
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCOc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)nn1
InChIInChI=1S/C19H21N3O/c1-23-19-10-9-18(20-21-19)15-11-16-7-8-17(12-15)22(16)13-14-5-3-2-4-6-14/h2-6,9-11,16-17H,7-8,12-13H2,1H3
InChIKeyZOOLQBDGFQHRHH-UHFFFAOYSA-N
XLogP3.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971011
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972933
8-benzyl-3-phenanthren-9-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171967825
8-benzyl-3-[4-methoxy-3-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171969114
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4-methoxybenzonitrile
CID 171971250
8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(2,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972922
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171972761) is 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene is COc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)nn1.
What is the InChIKey of 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is ZOOLQBDGFQHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-19-10-9-18(20-21-19)15-11-16-7-8-17(12-15)22(16)13-14-5-3-2-4-6-14/h2-6,9-11,16-17H,7-8,12-13H2,1H3.
What are the key properties of 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 307.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171972761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).