5-amino-2-hydroxycyclohepta-2,6-dien-1-one

C7H9NO2 — CID 89067441

IUPAC5-amino-2-hydroxycyclohepta-2,6-dien-1-one
SMILESNC1C=CC(=O)C(O)=CC1
InChIInChI=1S/C7H9NO2/c8-5-1-3-6(9)7(10)4-2-5/h1,3-5,10H,2,8H2
InChIKeyKEULWWYAFGKGQV-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.28
Rot. Bonds

About 5-amino-2-hydroxycyclohepta-2,6-dien-1-one

5-amino-2-hydroxycyclohepta-2,6-dien-1-one (PubChem CID 89067441) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-amino-2-hydroxycyclohepta-2,6-dien-1-one.

Molecular Properties

Compound Name5-amino-2-hydroxycyclohepta-2,6-dien-1-one
PubChem CID89067441
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-amino-2-hydroxycyclohepta-2,6-dien-1-one
SMILESNC1C=CC(=O)C(O)=CC1
InChIInChI=1S/C7H9NO2/c8-5-1-3-6(9)7(10)4-2-5/h1,3-5,10H,2,8H2
InChIKeyKEULWWYAFGKGQV-UHFFFAOYSA-N
XLogP0.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxycyclohepta-2,6-dien-1-one?
The IUPAC name of 5-amino-2-hydroxycyclohepta-2,6-dien-1-one (CID 89067441) is 5-amino-2-hydroxycyclohepta-2,6-dien-1-one.
What is the SMILES notation for 5-amino-2-hydroxycyclohepta-2,6-dien-1-one?
The canonical SMILES for 5-amino-2-hydroxycyclohepta-2,6-dien-1-one is NC1C=CC(=O)C(O)=CC1.
What is the InChIKey of 5-amino-2-hydroxycyclohepta-2,6-dien-1-one?
The InChIKey is KEULWWYAFGKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-5-1-3-6(9)7(10)4-2-5/h1,3-5,10H,2,8H2.
What are the key properties of 5-amino-2-hydroxycyclohepta-2,6-dien-1-one?
5-amino-2-hydroxycyclohepta-2,6-dien-1-one has a molecular weight of 139.15 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxycyclohepta-2,6-dien-1-one is sourced from PubChem (CID 89067441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).