1-(2-methylpropyl)azirine

C6H11N — CID 59800824

IUPAC1-(2-methylpropyl)azirine
SMILESCC(C)CN1C=C1
InChIInChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h3-4,6H,5H2,1-2H3
InChIKeyQWOGVCNHSYDFAA-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-methylpropyl)azirine

1-(2-methylpropyl)azirine (PubChem CID 59800824) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-(2-methylpropyl)azirine.

Molecular Properties

Compound Name1-(2-methylpropyl)azirine
PubChem CID59800824
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-(2-methylpropyl)azirine
SMILESCC(C)CN1C=C1
InChIInChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h3-4,6H,5H2,1-2H3
InChIKeyQWOGVCNHSYDFAA-UHFFFAOYSA-N
XLogP1.43
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)azirine?
The IUPAC name of 1-(2-methylpropyl)azirine (CID 59800824) is 1-(2-methylpropyl)azirine.
What is the SMILES notation for 1-(2-methylpropyl)azirine?
The canonical SMILES for 1-(2-methylpropyl)azirine is CC(C)CN1C=C1.
What is the InChIKey of 1-(2-methylpropyl)azirine?
The InChIKey is QWOGVCNHSYDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)5-7-3-4-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)azirine?
1-(2-methylpropyl)azirine has a molecular weight of 97.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)azirine is sourced from PubChem (CID 59800824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).