2-(4-methoxyphenyl)-1H-azirine

C9H9NO — CID 19098652

IUPAC2-(4-methoxyphenyl)-1H-azirine
SMILESCOc1ccc(C2=CN2)cc1
InChIInChI=1S/C9H9NO/c1-11-8-4-2-7(3-5-8)9-6-10-9/h2-6,10H,1H3
InChIKeyHKWJDNKUGYWPDK-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.60
Rot. Bonds2

About 2-(4-methoxyphenyl)-1H-azirine

2-(4-methoxyphenyl)-1H-azirine (PubChem CID 19098652) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1H-azirine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1H-azirine
PubChem CID19098652
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(4-methoxyphenyl)-1H-azirine
SMILESCOc1ccc(C2=CN2)cc1
InChIInChI=1S/C9H9NO/c1-11-8-4-2-7(3-5-8)9-6-10-9/h2-6,10H,1H3
InChIKeyHKWJDNKUGYWPDK-UHFFFAOYSA-N
XLogP1.60
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 132526001
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N-[4-(4-methoxyphenyl)phenyl]methanimine
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4,5-bis(4-methoxyphenyl)-2H-triazole
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1-chloro-4-(4-methoxyphenyl)benzene
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2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
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1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
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1,4-dimethoxybenzene;ethane;methane;1,4-xylene
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1-methoxy-4-phenylbenzene;methyloxidanium
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1H-azirine?
The IUPAC name of 2-(4-methoxyphenyl)-1H-azirine (CID 19098652) is 2-(4-methoxyphenyl)-1H-azirine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1H-azirine?
The canonical SMILES for 2-(4-methoxyphenyl)-1H-azirine is COc1ccc(C2=CN2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1H-azirine?
The InChIKey is HKWJDNKUGYWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-8-4-2-7(3-5-8)9-6-10-9/h2-6,10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1H-azirine?
2-(4-methoxyphenyl)-1H-azirine has a molecular weight of 147.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1H-azirine is sourced from PubChem (CID 19098652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).