methyl 3-propyl-2H-azirine-2-carboxylate

C7H11NO2 — CID 15249128

IUPACmethyl 3-propyl-2H-azirine-2-carboxylate
SMILESCCCC1=NC1C(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-4-5-6(8-5)7(9)10-2/h6H,3-4H2,1-2H3
InChIKeySFOGBHGHSZGXSA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds3

About methyl 3-propyl-2H-azirine-2-carboxylate

methyl 3-propyl-2H-azirine-2-carboxylate (PubChem CID 15249128) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 3-propyl-2H-azirine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-propyl-2H-azirine-2-carboxylate
PubChem CID15249128
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 3-propyl-2H-azirine-2-carboxylate
SMILESCCCC1=NC1C(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-4-5-6(8-5)7(9)10-2/h6H,3-4H2,1-2H3
InChIKeySFOGBHGHSZGXSA-UHFFFAOYSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-propyl-2H-azirine-2-carboxylate?
The IUPAC name of methyl 3-propyl-2H-azirine-2-carboxylate (CID 15249128) is methyl 3-propyl-2H-azirine-2-carboxylate.
What is the SMILES notation for methyl 3-propyl-2H-azirine-2-carboxylate?
The canonical SMILES for methyl 3-propyl-2H-azirine-2-carboxylate is CCCC1=NC1C(=O)OC.
What is the InChIKey of methyl 3-propyl-2H-azirine-2-carboxylate?
The InChIKey is SFOGBHGHSZGXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5-6(8-5)7(9)10-2/h6H,3-4H2,1-2H3.
What are the key properties of methyl 3-propyl-2H-azirine-2-carboxylate?
methyl 3-propyl-2H-azirine-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propyl-2H-azirine-2-carboxylate is sourced from PubChem (CID 15249128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).