5-aminocyclohepta-1,4,6-trien-1-ol

C7H9NO — CID 138741221

IUPAC5-aminocyclohepta-1,4,6-trien-1-ol
SMILESNC1=CCC=C(O)C=C1
InChIInChI=1S/C7H9NO/c8-6-2-1-3-7(9)5-4-6/h2-5,9H,1,8H2
InChIKeyPOQGCEKREKOGDV-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.23
Rot. Bonds

About 5-aminocyclohepta-1,4,6-trien-1-ol

5-aminocyclohepta-1,4,6-trien-1-ol (PubChem CID 138741221) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-aminocyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name5-aminocyclohepta-1,4,6-trien-1-ol
PubChem CID138741221
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-aminocyclohepta-1,4,6-trien-1-ol
SMILESNC1=CCC=C(O)C=C1
InChIInChI=1S/C7H9NO/c8-6-2-1-3-7(9)5-4-6/h2-5,9H,1,8H2
InChIKeyPOQGCEKREKOGDV-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-aminocyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 5-aminocyclohepta-1,4,6-trien-1-ol (CID 138741221) is 5-aminocyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 5-aminocyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 5-aminocyclohepta-1,4,6-trien-1-ol is NC1=CCC=C(O)C=C1.
What is the InChIKey of 5-aminocyclohepta-1,4,6-trien-1-ol?
The InChIKey is POQGCEKREKOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-6-2-1-3-7(9)5-4-6/h2-5,9H,1,8H2.
What are the key properties of 5-aminocyclohepta-1,4,6-trien-1-ol?
5-aminocyclohepta-1,4,6-trien-1-ol has a molecular weight of 123.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminocyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 138741221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).