(Z,2S,5R)-5-aminohex-3-en-2-ol

C6H13NO — CID 55288991

IUPAC(Z,2S,5R)-5-aminohex-3-en-2-ol
SMILESC[C@H](O)/C=C\[C@@H](C)N
InChIInChI=1S/C6H13NO/c1-5(7)3-4-6(2)8/h3-6,8H,7H2,1-2H3/b4-3-/t5-,6+/m1/s1
InChIKeyNVZIRPALMZOFMQ-KJGOGWGYSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds2

About (Z,2S,5R)-5-aminohex-3-en-2-ol

(Z,2S,5R)-5-aminohex-3-en-2-ol (PubChem CID 55288991) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z,2S,5R)-5-aminohex-3-en-2-ol.

Molecular Properties

Compound Name(Z,2S,5R)-5-aminohex-3-en-2-ol
PubChem CID55288991
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z,2S,5R)-5-aminohex-3-en-2-ol
SMILESC[C@H](O)/C=C\[C@@H](C)N
InChIInChI=1S/C6H13NO/c1-5(7)3-4-6(2)8/h3-6,8H,7H2,1-2H3/b4-3-/t5-,6+/m1/s1
InChIKeyNVZIRPALMZOFMQ-KJGOGWGYSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2S,5R)-5-aminohex-3-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2S,5R)-5-aminohex-3-en-2-ol?
The IUPAC name of (Z,2S,5R)-5-aminohex-3-en-2-ol (CID 55288991) is (Z,2S,5R)-5-aminohex-3-en-2-ol.
What is the SMILES notation for (Z,2S,5R)-5-aminohex-3-en-2-ol?
The canonical SMILES for (Z,2S,5R)-5-aminohex-3-en-2-ol is C[C@H](O)/C=C\[C@@H](C)N.
What is the InChIKey of (Z,2S,5R)-5-aminohex-3-en-2-ol?
The InChIKey is NVZIRPALMZOFMQ-KJGOGWGYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7)3-4-6(2)8/h3-6,8H,7H2,1-2H3/b4-3-/t5-,6+/m1/s1.
What are the key properties of (Z,2S,5R)-5-aminohex-3-en-2-ol?
(Z,2S,5R)-5-aminohex-3-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,5R)-5-aminohex-3-en-2-ol is sourced from PubChem (CID 55288991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).