4-amino-5,6-dimethoxycyclohex-2-en-1-ol

C8H15NO3 — CID 559034

IUPAC4-amino-5,6-dimethoxycyclohex-2-en-1-ol
SMILESCOC1C(N)C=CC(O)C1OC
InChIInChI=1S/C8H15NO3/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-8,10H,9H2,1-2H3
InChIKeyXFMBWJRZUNIPPT-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.73
Rot. Bonds2

About 4-amino-5,6-dimethoxycyclohex-2-en-1-ol

4-amino-5,6-dimethoxycyclohex-2-en-1-ol (PubChem CID 559034) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-amino-5,6-dimethoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-amino-5,6-dimethoxycyclohex-2-en-1-ol
PubChem CID559034
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-amino-5,6-dimethoxycyclohex-2-en-1-ol
SMILESCOC1C(N)C=CC(O)C1OC
InChIInChI=1S/C8H15NO3/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-8,10H,9H2,1-2H3
InChIKeyXFMBWJRZUNIPPT-UHFFFAOYSA-N
XLogP-0.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
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 4-amino-5,6-dimethoxycyclohex-2-en-1-ol?
The IUPAC name of 4-amino-5,6-dimethoxycyclohex-2-en-1-ol (CID 559034) is 4-amino-5,6-dimethoxycyclohex-2-en-1-ol.
What is the SMILES notation for 4-amino-5,6-dimethoxycyclohex-2-en-1-ol?
The canonical SMILES for 4-amino-5,6-dimethoxycyclohex-2-en-1-ol is COC1C(N)C=CC(O)C1OC.
What is the InChIKey of 4-amino-5,6-dimethoxycyclohex-2-en-1-ol?
The InChIKey is XFMBWJRZUNIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-amino-5,6-dimethoxycyclohex-2-en-1-ol?
4-amino-5,6-dimethoxycyclohex-2-en-1-ol has a molecular weight of 173.21 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-dimethoxycyclohex-2-en-1-ol is sourced from PubChem (CID 559034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).