1-(oxolan-3-yl)but-3-en-1-amine

C8H15NO — CID 65330674

IUPAC1-(oxolan-3-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CCOC1
InChIInChI=1S/C8H15NO/c1-2-3-8(9)7-4-5-10-6-7/h2,7-8H,1,3-6,9H2
InChIKeyAVKJNZDTOMESOV-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds3

About 1-(oxolan-3-yl)but-3-en-1-amine

1-(oxolan-3-yl)but-3-en-1-amine (PubChem CID 65330674) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(oxolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)but-3-en-1-amine
PubChem CID65330674
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(oxolan-3-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CCOC1
InChIInChI=1S/C8H15NO/c1-2-3-8(9)7-4-5-10-6-7/h2,7-8H,1,3-6,9H2
InChIKeyAVKJNZDTOMESOV-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(oxolan-3-yl)but-3-en-1-amine?
The IUPAC name of 1-(oxolan-3-yl)but-3-en-1-amine (CID 65330674) is 1-(oxolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)but-3-en-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)but-3-en-1-amine is C=CCC(N)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)but-3-en-1-amine?
The InChIKey is AVKJNZDTOMESOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-8(9)7-4-5-10-6-7/h2,7-8H,1,3-6,9H2.
What are the key properties of 1-(oxolan-3-yl)but-3-en-1-amine?
1-(oxolan-3-yl)but-3-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)but-3-en-1-amine is sourced from PubChem (CID 65330674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).