(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol

C8H11NO — CID 126762505

IUPAC(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol
SMILESN/C1=C/C/C(O)=C\C=C/C1
InChIInChI=1S/C8H11NO/c9-7-3-1-2-4-8(10)6-5-7/h1-2,4-5,10H,3,6,9H2/b2-1-,7-5+,8-4+
InChIKeyIHUROVRHBNNPST-RRFLBZICSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds

About (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol

(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol (PubChem CID 126762505) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol
PubChem CID126762505
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol
SMILESN/C1=C/C/C(O)=C\C=C/C1
InChIInChI=1S/C8H11NO/c9-7-3-1-2-4-8(10)6-5-7/h1-2,4-5,10H,3,6,9H2/b2-1-,7-5+,8-4+
InChIKeyIHUROVRHBNNPST-RRFLBZICSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-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 (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol?
The IUPAC name of (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol (CID 126762505) is (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol.
What is the SMILES notation for (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol?
The canonical SMILES for (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol is N/C1=C/C/C(O)=C\C=C/C1.
What is the InChIKey of (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol?
The InChIKey is IHUROVRHBNNPST-RRFLBZICSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-3-1-2-4-8(10)6-5-7/h1-2,4-5,10H,3,6,9H2/b2-1-,7-5+,8-4+.
What are the key properties of (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol?
(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol is sourced from PubChem (CID 126762505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).