2-ethyl-1-propylazirine

C7H13N — CID 89242636

IUPAC2-ethyl-1-propylazirine
SMILESCCCN1C=C1CC
InChIInChI=1S/C7H13N/c1-3-5-8-6-7(8)4-2/h6H,3-5H2,1-2H3
InChIKeyQJKHTRNDENHHOQ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.96
Rot. Bonds3

About 2-ethyl-1-propylazirine

2-ethyl-1-propylazirine (PubChem CID 89242636) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-ethyl-1-propylazirine.

Molecular Properties

Compound Name2-ethyl-1-propylazirine
PubChem CID89242636
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-ethyl-1-propylazirine
SMILESCCCN1C=C1CC
InChIInChI=1S/C7H13N/c1-3-5-8-6-7(8)4-2/h6H,3-5H2,1-2H3
InChIKeyQJKHTRNDENHHOQ-UHFFFAOYSA-N
XLogP1.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propylazirine?
The IUPAC name of 2-ethyl-1-propylazirine (CID 89242636) is 2-ethyl-1-propylazirine.
What is the SMILES notation for 2-ethyl-1-propylazirine?
The canonical SMILES for 2-ethyl-1-propylazirine is CCCN1C=C1CC.
What is the InChIKey of 2-ethyl-1-propylazirine?
The InChIKey is QJKHTRNDENHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-8-6-7(8)4-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-1-propylazirine?
2-ethyl-1-propylazirine has a molecular weight of 111.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propylazirine is sourced from PubChem (CID 89242636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).