4-amino-4-ethoxycyclohexa-1,5-dien-1-ol

C8H13NO2 — CID 66789000

IUPAC4-amino-4-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1(N)C=CC(O)=CC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(9)5-3-7(10)4-6-8/h3-5,10H,2,6,9H2,1H3
InChIKeyVHFNMFLIEFYOHM-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.08
Rot. Bonds2

About 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol

4-amino-4-ethoxycyclohexa-1,5-dien-1-ol (PubChem CID 66789000) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-amino-4-ethoxycyclohexa-1,5-dien-1-ol
PubChem CID66789000
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-amino-4-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1(N)C=CC(O)=CC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(9)5-3-7(10)4-6-8/h3-5,10H,2,6,9H2,1H3
InChIKeyVHFNMFLIEFYOHM-UHFFFAOYSA-N
XLogP1.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.08
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 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol (CID 66789000) is 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol is CCOC1(N)C=CC(O)=CC1.
What is the InChIKey of 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol?
The InChIKey is VHFNMFLIEFYOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(9)5-3-7(10)4-6-8/h3-5,10H,2,6,9H2,1H3.
What are the key properties of 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol?
4-amino-4-ethoxycyclohexa-1,5-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-ethoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 66789000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).