2,3-diaminonaphthalene-1,4-dione

C10H8N2O2 — CID 4167268

IUPAC2,3-diaminonaphthalene-1,4-dione
SMILESNC1=C(N)C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,11-12H2
InChIKeyYGFBBXYYCLHOOW-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.19
Rot. Bonds

About 2,3-diaminonaphthalene-1,4-dione

2,3-diaminonaphthalene-1,4-dione (PubChem CID 4167268) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2,3-diaminonaphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-diaminonaphthalene-1,4-dione
PubChem CID4167268
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2,3-diaminonaphthalene-1,4-dione
SMILESNC1=C(N)C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,11-12H2
InChIKeyYGFBBXYYCLHOOW-UHFFFAOYSA-N
XLogP0.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

CID 158261979
CID 158261979
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763
2-amino-3-(2-bromophenyl)naphthalene-1,4-dione
CID 102334930
2-amino-3-(2-chlorophenyl)naphthalene-1,4-dione
CID 90646352
2-amino-3-(4-iodophenyl)naphthalene-1,4-dione
CID 1405554
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
CID 118898551
CID 118898551

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminonaphthalene-1,4-dione?
The IUPAC name of 2,3-diaminonaphthalene-1,4-dione (CID 4167268) is 2,3-diaminonaphthalene-1,4-dione.
What is the SMILES notation for 2,3-diaminonaphthalene-1,4-dione?
The canonical SMILES for 2,3-diaminonaphthalene-1,4-dione is NC1=C(N)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2,3-diaminonaphthalene-1,4-dione?
The InChIKey is YGFBBXYYCLHOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,11-12H2.
What are the key properties of 2,3-diaminonaphthalene-1,4-dione?
2,3-diaminonaphthalene-1,4-dione has a molecular weight of 188.19 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminonaphthalene-1,4-dione is sourced from PubChem (CID 4167268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).