1-propylazirine

C5H9N — CID 139616692

IUPAC1-propylazirine
SMILESCCCN1C=C1
InChIInChI=1S/C5H9N/c1-2-3-6-4-5-6/h4-5H,2-3H2,1H3
InChIKeyAMUUCUXYVFFLMS-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.18
Rot. Bonds2

About 1-propylazirine

1-propylazirine (PubChem CID 139616692) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 1-propylazirine.

Molecular Properties

Compound Name1-propylazirine
PubChem CID139616692
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name1-propylazirine
SMILESCCCN1C=C1
InChIInChI=1S/C5H9N/c1-2-3-6-4-5-6/h4-5H,2-3H2,1H3
InChIKeyAMUUCUXYVFFLMS-UHFFFAOYSA-N
XLogP1.18
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propylazirine?
The IUPAC name of 1-propylazirine (CID 139616692) is 1-propylazirine.
What is the SMILES notation for 1-propylazirine?
The canonical SMILES for 1-propylazirine is CCCN1C=C1.
What is the InChIKey of 1-propylazirine?
The InChIKey is AMUUCUXYVFFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-3-6-4-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 1-propylazirine?
1-propylazirine has a molecular weight of 83.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylazirine is sourced from PubChem (CID 139616692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).