3-aminocyclohex-5-ene-1,2,4-triol

C6H11NO3 — CID 153072730

IUPAC3-aminocyclohex-5-ene-1,2,4-triol
SMILESNC1C(O)C=CC(O)C1O
InChIInChI=1S/C6H11NO3/c7-5-3(8)1-2-4(9)6(5)10/h1-6,8-10H,7H2
InChIKeyVLRFQNZNJBAYJG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-2.03
Rot. Bonds

About 3-aminocyclohex-5-ene-1,2,4-triol

3-aminocyclohex-5-ene-1,2,4-triol (PubChem CID 153072730) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-aminocyclohex-5-ene-1,2,4-triol.

Molecular Properties

Compound Name3-aminocyclohex-5-ene-1,2,4-triol
PubChem CID153072730
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-aminocyclohex-5-ene-1,2,4-triol
SMILESNC1C(O)C=CC(O)C1O
InChIInChI=1S/C6H11NO3/c7-5-3(8)1-2-4(9)6(5)10/h1-6,8-10H,7H2
InChIKeyVLRFQNZNJBAYJG-UHFFFAOYSA-N
XLogP-2.03
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclohex-5-ene-1,2,4-triol?
The IUPAC name of 3-aminocyclohex-5-ene-1,2,4-triol (CID 153072730) is 3-aminocyclohex-5-ene-1,2,4-triol.
What is the SMILES notation for 3-aminocyclohex-5-ene-1,2,4-triol?
The canonical SMILES for 3-aminocyclohex-5-ene-1,2,4-triol is NC1C(O)C=CC(O)C1O.
What is the InChIKey of 3-aminocyclohex-5-ene-1,2,4-triol?
The InChIKey is VLRFQNZNJBAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c7-5-3(8)1-2-4(9)6(5)10/h1-6,8-10H,7H2.
What are the key properties of 3-aminocyclohex-5-ene-1,2,4-triol?
3-aminocyclohex-5-ene-1,2,4-triol has a molecular weight of 145.16 g/mol, XLogP of -2.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclohex-5-ene-1,2,4-triol is sourced from PubChem (CID 153072730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).