4-(but-1-en-2-ylamino)but-1-en-2-ol

C8H15NO — CID 145162025

IUPAC4-(but-1-en-2-ylamino)but-1-en-2-ol
SMILESC=C(O)CCNC(=C)CC
InChIInChI=1S/C8H15NO/c1-4-7(2)9-6-5-8(3)10/h9-10H,2-6H2,1H3
InChIKeyYRLJCDXZNQXCRJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds5

About 4-(but-1-en-2-ylamino)but-1-en-2-ol

4-(but-1-en-2-ylamino)but-1-en-2-ol (PubChem CID 145162025) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(but-1-en-2-ylamino)but-1-en-2-ol.

Molecular Properties

Compound Name4-(but-1-en-2-ylamino)but-1-en-2-ol
PubChem CID145162025
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(but-1-en-2-ylamino)but-1-en-2-ol
SMILESC=C(O)CCNC(=C)CC
InChIInChI=1S/C8H15NO/c1-4-7(2)9-6-5-8(3)10/h9-10H,2-6H2,1H3
InChIKeyYRLJCDXZNQXCRJ-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(but-1-en-2-ylamino)but-1-en-2-ol?
The IUPAC name of 4-(but-1-en-2-ylamino)but-1-en-2-ol (CID 145162025) is 4-(but-1-en-2-ylamino)but-1-en-2-ol.
What is the SMILES notation for 4-(but-1-en-2-ylamino)but-1-en-2-ol?
The canonical SMILES for 4-(but-1-en-2-ylamino)but-1-en-2-ol is C=C(O)CCNC(=C)CC.
What is the InChIKey of 4-(but-1-en-2-ylamino)but-1-en-2-ol?
The InChIKey is YRLJCDXZNQXCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7(2)9-6-5-8(3)10/h9-10H,2-6H2,1H3.
What are the key properties of 4-(but-1-en-2-ylamino)but-1-en-2-ol?
4-(but-1-en-2-ylamino)but-1-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-1-en-2-ylamino)but-1-en-2-ol is sourced from PubChem (CID 145162025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).