3-(oxolan-2-yl)but-3-en-1-amine

C8H15NO — CID 117268485

IUPAC3-(oxolan-2-yl)but-3-en-1-amine
SMILESC=C(CCN)C1CCCO1
InChIInChI=1S/C8H15NO/c1-7(4-5-9)8-3-2-6-10-8/h8H,1-6,9H2
InChIKeyYWHQUKPLBJGDMW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.07
Rot. Bonds3

About 3-(oxolan-2-yl)but-3-en-1-amine

3-(oxolan-2-yl)but-3-en-1-amine (PubChem CID 117268485) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(oxolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)but-3-en-1-amine
PubChem CID117268485
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(oxolan-2-yl)but-3-en-1-amine
SMILESC=C(CCN)C1CCCO1
InChIInChI=1S/C8H15NO/c1-7(4-5-9)8-3-2-6-10-8/h8H,1-6,9H2
InChIKeyYWHQUKPLBJGDMW-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
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 3-(oxolan-2-yl)but-3-en-1-amine?
The IUPAC name of 3-(oxolan-2-yl)but-3-en-1-amine (CID 117268485) is 3-(oxolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)but-3-en-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)but-3-en-1-amine is C=C(CCN)C1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)but-3-en-1-amine?
The InChIKey is YWHQUKPLBJGDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(4-5-9)8-3-2-6-10-8/h8H,1-6,9H2.
What are the key properties of 3-(oxolan-2-yl)but-3-en-1-amine?
3-(oxolan-2-yl)but-3-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 117268485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).