N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine

C7H11N3O — CID 106398717

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCc1ncon1
InChIInChI=1S/C7H11N3O/c1-3-6(2)8-4-7-9-5-11-10-7/h3,5-6,8H,1,4H2,2H3
InChIKeyYEUFLUQPWNFIIK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.73
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine (PubChem CID 106398717) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine
PubChem CID106398717
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCc1ncon1
InChIInChI=1S/C7H11N3O/c1-3-6(2)8-4-7-9-5-11-10-7/h3,5-6,8H,1,4H2,2H3
InChIKeyYEUFLUQPWNFIIK-UHFFFAOYSA-N
XLogP0.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
CID 121367772
3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole
CID 141175199
1-N-(1,2,4-oxadiazol-3-ylmethyl)butane-1,2-diamine
CID 141861217
N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
CID 62344162
N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine
CID 106392456
N-(1,2,4-oxadiazol-3-ylmethyl)pentan-3-amine
CID 106392566
N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106392570
N-(1,2,4-oxadiazol-3-ylmethyl)butan-2-amine
CID 106393015
2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine
CID 106393664
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hex-5-en-2-amine
CID 106395478
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-enamide
CID 106395515
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
CID 106398585

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine (CID 106398717) is N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine is C=CC(C)NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine?
The InChIKey is YEUFLUQPWNFIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-6(2)8-4-7-9-5-11-10-7/h3,5-6,8H,1,4H2,2H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine has a molecular weight of 153.18 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)but-3-en-2-amine is sourced from PubChem (CID 106398717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).