N-but-3-enylfuran-3-amine

C8H11NO — CID 22393549

IUPACN-but-3-enylfuran-3-amine
SMILESC=CCCNc1ccoc1
InChIInChI=1S/C8H11NO/c1-2-3-5-9-8-4-6-10-7-8/h2,4,6-7,9H,1,3,5H2
InChIKeyZKUDUNBKOLTEFF-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.27
Rot. Bonds4

About N-but-3-enylfuran-3-amine

N-but-3-enylfuran-3-amine (PubChem CID 22393549) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-but-3-enylfuran-3-amine.

Molecular Properties

Compound NameN-but-3-enylfuran-3-amine
PubChem CID22393549
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-but-3-enylfuran-3-amine
SMILESC=CCCNc1ccoc1
InChIInChI=1S/C8H11NO/c1-2-3-5-9-8-4-6-10-7-8/h2,4,6-7,9H,1,3,5H2
InChIKeyZKUDUNBKOLTEFF-UHFFFAOYSA-N
XLogP2.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylfuran-3-amine?
The IUPAC name of N-but-3-enylfuran-3-amine (CID 22393549) is N-but-3-enylfuran-3-amine.
What is the SMILES notation for N-but-3-enylfuran-3-amine?
The canonical SMILES for N-but-3-enylfuran-3-amine is C=CCCNc1ccoc1.
What is the InChIKey of N-but-3-enylfuran-3-amine?
The InChIKey is ZKUDUNBKOLTEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-5-9-8-4-6-10-7-8/h2,4,6-7,9H,1,3,5H2.
What are the key properties of N-but-3-enylfuran-3-amine?
N-but-3-enylfuran-3-amine has a molecular weight of 137.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylfuran-3-amine is sourced from PubChem (CID 22393549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).