1-amino-4-methoxycyclohexa-2,4-dien-1-ol

C7H11NO2 — CID 22993362

IUPAC1-amino-4-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CCC(N)(O)C=C1
InChIInChI=1S/C7H11NO2/c1-10-6-2-4-7(8,9)5-3-6/h2-4,9H,5,8H2,1H3
InChIKeyOQUDZENPXRZUGB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.12
Rot. Bonds1

About 1-amino-4-methoxycyclohexa-2,4-dien-1-ol

1-amino-4-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 22993362) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-amino-4-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-amino-4-methoxycyclohexa-2,4-dien-1-ol
PubChem CID22993362
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-amino-4-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CCC(N)(O)C=C1
InChIInChI=1S/C7H11NO2/c1-10-6-2-4-7(8,9)5-3-6/h2-4,9H,5,8H2,1H3
InChIKeyOQUDZENPXRZUGB-UHFFFAOYSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-amino-4-methoxycyclohexa-2,4-dien-1-ol (CID 22993362) is 1-amino-4-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-amino-4-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-amino-4-methoxycyclohexa-2,4-dien-1-ol is COC1=CCC(N)(O)C=C1.
What is the InChIKey of 1-amino-4-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is OQUDZENPXRZUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-6-2-4-7(8,9)5-3-6/h2-4,9H,5,8H2,1H3.
What are the key properties of 1-amino-4-methoxycyclohexa-2,4-dien-1-ol?
1-amino-4-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 141.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22993362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).