(E)-4-(oxolan-2-yl)but-3-en-1-amine

C8H15NO — CID 82838045

IUPAC(E)-4-(oxolan-2-yl)but-3-en-1-amine
SMILESNCC/C=C/C1CCCO1
InChIInChI=1S/C8H15NO/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8H,2-3,5-7,9H2/b4-1+
InChIKeyZOXKBFMUENQGIT-DAFODLJHSA-N
MW141.21 g/mol
LogP1.07
Rot. Bonds3

About (E)-4-(oxolan-2-yl)but-3-en-1-amine

(E)-4-(oxolan-2-yl)but-3-en-1-amine (PubChem CID 82838045) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-4-(oxolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(oxolan-2-yl)but-3-en-1-amine
PubChem CID82838045
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-4-(oxolan-2-yl)but-3-en-1-amine
SMILESNCC/C=C/C1CCCO1
InChIInChI=1S/C8H15NO/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8H,2-3,5-7,9H2/b4-1+
InChIKeyZOXKBFMUENQGIT-DAFODLJHSA-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'}

Analyze (E)-4-(oxolan-2-yl)but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-pent-1-enyl]oxolane
CID 11083976
2-[(E)-3-bromoprop-1-enyl]oxolane
CID 82840033
2-but-1-enyloxane
CID 54120972
(Z)-4-(oxolan-2-yl)but-3-enoic acid
CID 117267585
2-[(E)-prop-1-enyl]oxolane
CID 12508233
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine
CID 117267558
CID 101368257
CID 101368257
(Z)-4-piperidin-2-ylbut-3-en-1-amine
CID 117267610
triethyl-[(E)-2-(oxolan-2-yl)ethenyl]silane
CID 56850320
(E)-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82837943

Frequently Asked Questions

What is the IUPAC name of (E)-4-(oxolan-2-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(oxolan-2-yl)but-3-en-1-amine (CID 82838045) is (E)-4-(oxolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(oxolan-2-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(oxolan-2-yl)but-3-en-1-amine is NCC/C=C/C1CCCO1.
What is the InChIKey of (E)-4-(oxolan-2-yl)but-3-en-1-amine?
The InChIKey is ZOXKBFMUENQGIT-DAFODLJHSA-N. The full InChI is InChI=1S/C8H15NO/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8H,2-3,5-7,9H2/b4-1+.
What are the key properties of (E)-4-(oxolan-2-yl)but-3-en-1-amine?
(E)-4-(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 (E)-4-(oxolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 82838045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).