3-(2,3-dihydroazecin-10-yl)azecine

C18H18N2 — CID 90946950

IUPAC3-(2,3-dihydroazecin-10-yl)azecine
SMILESC1=CC=C/C(c2cccccccnc2)=N/CCC=C1
InChIInChI=1S/C18H18N2/c1-2-7-11-15-20-18(13-9-5-1)17-12-8-4-3-6-10-14-19-16-17/h1-10,12-14,16H,11,15H2/b4-3+,5-1?,6-3-,7-2?,8-4+,10-6-,12-8-,13-9?,14-10-,17-12+,17-16+,19-14+,19-16+,20-18-
InChIKeyZXWZZHZNBIMYTO-WVAPYNASSA-N
MW262.36 g/mol
LogP4.07
Rot. Bonds1

About 3-(2,3-dihydroazecin-10-yl)azecine

3-(2,3-dihydroazecin-10-yl)azecine (PubChem CID 90946950) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(2,3-dihydroazecin-10-yl)azecine.

Molecular Properties

Compound Name3-(2,3-dihydroazecin-10-yl)azecine
PubChem CID90946950
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-(2,3-dihydroazecin-10-yl)azecine
SMILESC1=CC=C/C(c2cccccccnc2)=N/CCC=C1
InChIInChI=1S/C18H18N2/c1-2-7-11-15-20-18(13-9-5-1)17-12-8-4-3-6-10-14-19-16-17/h1-10,12-14,16H,11,15H2/b4-3+,5-1?,6-3-,7-2?,8-4+,10-6-,12-8-,13-9?,14-10-,17-12+,17-16+,19-14+,19-16+,20-18-
InChIKeyZXWZZHZNBIMYTO-WVAPYNASSA-N
XLogP4.07
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
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3-(2,3-dihydropyridin-6-ylmethyl)pyridine
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4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
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2-phenylazocine;hydrobromide
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cyclopenta[c]azepine
CID 638010
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroazecin-10-yl)azecine?
The IUPAC name of 3-(2,3-dihydroazecin-10-yl)azecine (CID 90946950) is 3-(2,3-dihydroazecin-10-yl)azecine.
What is the SMILES notation for 3-(2,3-dihydroazecin-10-yl)azecine?
The canonical SMILES for 3-(2,3-dihydroazecin-10-yl)azecine is C1=CC=C/C(c2cccccccnc2)=N/CCC=C1.
What is the InChIKey of 3-(2,3-dihydroazecin-10-yl)azecine?
The InChIKey is ZXWZZHZNBIMYTO-WVAPYNASSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-7-11-15-20-18(13-9-5-1)17-12-8-4-3-6-10-14-19-16-17/h1-10,12-14,16H,11,15H2/b4-3+,5-1?,6-3-,7-2?,8-4+,10-6-,12-8-,13-9?,14-10-,17-12+,17-16+,19-14+,19-16+,20-18-.
What are the key properties of 3-(2,3-dihydroazecin-10-yl)azecine?
3-(2,3-dihydroazecin-10-yl)azecine has a molecular weight of 262.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroazecin-10-yl)azecine is sourced from PubChem (CID 90946950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).