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

C7H11N3O — CID 106398585

IUPAC(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
SMILESC/C=C/CNCc1ncon1
InChIInChI=1S/C7H11N3O/c1-2-3-4-8-5-7-9-6-11-10-7/h2-3,6,8H,4-5H2,1H3/b3-2+
InChIKeyWPSHBBPZZVQLDI-NSCUHMNNSA-N
MW153.19 g/mol
LogP0.74
Rot. Bonds4

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

(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine (PubChem CID 106398585) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
PubChem CID106398585
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine
SMILESC/C=C/CNCc1ncon1
InChIInChI=1S/C7H11N3O/c1-2-3-4-8-5-7-9-6-11-10-7/h2-3,6,8H,4-5H2,1H3/b3-2+
InChIKeyWPSHBBPZZVQLDI-NSCUHMNNSA-N
XLogP0.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]prop-2-en-1-amine
CID 13064319
N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 59154993
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
CID 121367772
(E)-but-2-ene;3-methyl-1,2,4-oxadiazole
CID 143329017
(Z)-but-2-ene;ethane;N'-ethyl-N'-(2-methylprop-1-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
CID 143566750
N-(1,2,4-oxadiazol-3-ylmethyl)propan-2-amine
CID 62344162
N,N'-dimethyl-N'-(1,2,4-oxadiazol-3-ylmethyl)ethane-1,2-diamine
CID 64081684
N-(1,2,4-oxadiazol-3-ylmethyl)hex-5-en-2-amine
CID 106392456
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-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106393029
2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine
CID 106393664

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine?
The IUPAC name of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine (CID 106398585) is (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine?
The canonical SMILES for (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine is C/C=C/CNCc1ncon1.
What is the InChIKey of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine?
The InChIKey is WPSHBBPZZVQLDI-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-4-8-5-7-9-6-11-10-7/h2-3,6,8H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine?
(E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine has a molecular weight of 153.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,2,4-oxadiazol-3-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 106398585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).