8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one

C10H8N2O4 — CID 155907017

IUPAC8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one
SMILES[H]/N=C1\C(=O)C=C(O)c2c(O)cc(O)c(N)c21
InChIInChI=1S/C10H8N2O4/c11-9-5(15)1-3(13)7-4(14)2-6(16)10(12)8(7)9/h1-2,11,13-14,16H,12H2/b11-9+
InChIKeyLQIQKFKFMZKPRG-PKNBQFBNSA-N
MW220.18 g/mol
LogP0.53
Rot. Bonds

About 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one

8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one (PubChem CID 155907017) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one.

Molecular Properties

Compound Name8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one
PubChem CID155907017
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one
SMILES[H]/N=C1\C(=O)C=C(O)c2c(O)cc(O)c(N)c21
InChIInChI=1S/C10H8N2O4/c11-9-5(15)1-3(13)7-4(14)2-6(16)10(12)8(7)9/h1-2,11,13-14,16H,12H2/b11-9+
InChIKeyLQIQKFKFMZKPRG-PKNBQFBNSA-N
XLogP0.53
TPSA127.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one?
The IUPAC name of 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one (CID 155907017) is 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one.
What is the SMILES notation for 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one?
The canonical SMILES for 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one is [H]/N=C1\C(=O)C=C(O)c2c(O)cc(O)c(N)c21.
What is the InChIKey of 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one?
The InChIKey is LQIQKFKFMZKPRG-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H8N2O4/c11-9-5(15)1-3(13)7-4(14)2-6(16)10(12)8(7)9/h1-2,11,13-14,16H,12H2/b11-9+.
What are the key properties of 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one?
8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one has a molecular weight of 220.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4,5,7-trihydroxy-1-iminonaphthalen-2-one is sourced from PubChem (CID 155907017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).