1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine

C6H9N3O — CID 91017373

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1noc(C)n1
InChIInChI=1S/C6H9N3O/c1-3-5(7)6-8-4(2)10-9-6/h3,5H,1,7H2,2H3
InChIKeyCNDNDYYXVLDJCV-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.56
Rot. Bonds2

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine

1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine (PubChem CID 91017373) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine
PubChem CID91017373
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1noc(C)n1
InChIInChI=1S/C6H9N3O/c1-3-5(7)6-8-4(2)10-9-6/h3,5H,1,7H2,2H3
InChIKeyCNDNDYYXVLDJCV-UHFFFAOYSA-N
XLogP0.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine (CID 91017373) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine is C=CC(N)c1noc(C)n1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine?
The InChIKey is CNDNDYYXVLDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-5(7)6-8-4(2)10-9-6/h3,5H,1,7H2,2H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine has a molecular weight of 139.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 91017373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).