4-aminohex-1-en-5-yn-3-ol

C6H9NO — CID 20545573

IUPAC4-aminohex-1-en-5-yn-3-ol
SMILESC#CC(N)C(O)C=C
InChIInChI=1S/C6H9NO/c1-3-5(7)6(8)4-2/h1,4-6,8H,2,7H2
InChIKeyDWIMGAHXVYUCLL-UHFFFAOYSA-N
MW111.14 g/mol
LogP-0.51
Rot. Bonds2

About 4-aminohex-1-en-5-yn-3-ol

4-aminohex-1-en-5-yn-3-ol (PubChem CID 20545573) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-aminohex-1-en-5-yn-3-ol.

Molecular Properties

Compound Name4-aminohex-1-en-5-yn-3-ol
PubChem CID20545573
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-aminohex-1-en-5-yn-3-ol
SMILESC#CC(N)C(O)C=C
InChIInChI=1S/C6H9NO/c1-3-5(7)6(8)4-2/h1,4-6,8H,2,7H2
InChIKeyDWIMGAHXVYUCLL-UHFFFAOYSA-N
XLogP-0.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminohex-1-en-5-yn-3-ol?
The IUPAC name of 4-aminohex-1-en-5-yn-3-ol (CID 20545573) is 4-aminohex-1-en-5-yn-3-ol.
What is the SMILES notation for 4-aminohex-1-en-5-yn-3-ol?
The canonical SMILES for 4-aminohex-1-en-5-yn-3-ol is C#CC(N)C(O)C=C.
What is the InChIKey of 4-aminohex-1-en-5-yn-3-ol?
The InChIKey is DWIMGAHXVYUCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5(7)6(8)4-2/h1,4-6,8H,2,7H2.
What are the key properties of 4-aminohex-1-en-5-yn-3-ol?
4-aminohex-1-en-5-yn-3-ol has a molecular weight of 111.14 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohex-1-en-5-yn-3-ol is sourced from PubChem (CID 20545573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).