propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate

C15H19NO3 — CID 162377120

IUPACpropan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate
SMILESCOc1ccc(CCC2=NC2C(=O)OC(C)C)cc1
InChIInChI=1S/C15H19NO3/c1-10(2)19-15(17)14-13(16-14)9-6-11-4-7-12(18-3)8-5-11/h4-5,7-8,10,14H,6,9H2,1-3H3
InChIKeyZHWROPXTMRAPTF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.40
Rot. Bonds6

About propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate

propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate (PubChem CID 162377120) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate
PubChem CID162377120
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namepropan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate
SMILESCOc1ccc(CCC2=NC2C(=O)OC(C)C)cc1
InChIInChI=1S/C15H19NO3/c1-10(2)19-15(17)14-13(16-14)9-6-11-4-7-12(18-3)8-5-11/h4-5,7-8,10,14H,6,9H2,1-3H3
InChIKeyZHWROPXTMRAPTF-UHFFFAOYSA-N
XLogP2.40
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[2-(4-methylphenyl)ethyl]-2H-azirine-2-carboxylate
CID 170045705
propan-2-yl 5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylate
CID 82634698
ethyl 3-[2-(4-bromophenyl)ethyl]-2H-azirine-2-carboxylate
CID 162377131
tert-butyl 3-[2-(4-methylphenyl)ethyl]-2H-azirine-2-carboxylate
CID 170045700
propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
CID 155594282
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
1-(4-methoxyphenyl)-3-propylhexan-2-one
CID 82986928
1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
CID 59739700
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate?
The IUPAC name of propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate (CID 162377120) is propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate is COc1ccc(CCC2=NC2C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate?
The InChIKey is ZHWROPXTMRAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)19-15(17)14-13(16-14)9-6-11-4-7-12(18-3)8-5-11/h4-5,7-8,10,14H,6,9H2,1-3H3.
What are the key properties of propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate?
propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-(4-methoxyphenyl)ethyl]-2H-azirine-2-carboxylate is sourced from PubChem (CID 162377120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).