2-imino-3-methoxynaphthalene-1,4-dione

C11H9NO3 — CID 123479688

IUPAC2-imino-3-methoxynaphthalene-1,4-dione
SMILES[H]/N=C1\C(=O)c2ccccc2C(=O)C1OC
InChIInChI=1S/C11H9NO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5,11-12H,1H3/b12-8+
InChIKeyXDWMSSLGUWISKX-XYOKQWHBSA-N
MW203.20 g/mol
LogP1.10
Rot. Bonds1

About 2-imino-3-methoxynaphthalene-1,4-dione

2-imino-3-methoxynaphthalene-1,4-dione (PubChem CID 123479688) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-imino-3-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-imino-3-methoxynaphthalene-1,4-dione
PubChem CID123479688
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-imino-3-methoxynaphthalene-1,4-dione
SMILES[H]/N=C1\C(=O)c2ccccc2C(=O)C1OC
InChIInChI=1S/C11H9NO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5,11-12H,1H3/b12-8+
InChIKeyXDWMSSLGUWISKX-XYOKQWHBSA-N
XLogP1.10
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-imino-3-methoxynaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-6-methyl-2,3-dihydronaphthalene-1,4-dione
CID 145950890
2-Methoxydihydronaphthoquinone
CID 68028895
3-Methoxy-tetralone
CID 129650760
2,3-Dimethoxy-2,3-dihydronaphthalene-1,4-dione
CID 13327487
2-(2-Ethoxyethoxy)-2,3-dihydronaphthalene-1,4-dione
CID 18940212
3-Methoxynaphthalene-1,2,4-trione
CID 53449947
2-(2-Methoxyethoxy)-2,3-dihydronaphthalene-1,4-dione
CID 69193814
3,9a-dimethyl-3aH-benzo[f][1,2]benzoxazole-4,9-dione
CID 90831619
2,3-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 91533541
2-Imino-3-pentoxynaphthalene-1,4-dione
CID 117940459
(3S)-3-methoxynaphthalene-1,2,4-trione
CID 1747621
(3R)-3-methoxynaphthalene-1,2,4-trione
CID 7074658

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methoxynaphthalene-1,4-dione?
The IUPAC name of 2-imino-3-methoxynaphthalene-1,4-dione (CID 123479688) is 2-imino-3-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-imino-3-methoxynaphthalene-1,4-dione?
The canonical SMILES for 2-imino-3-methoxynaphthalene-1,4-dione is [H]/N=C1\C(=O)c2ccccc2C(=O)C1OC.
What is the InChIKey of 2-imino-3-methoxynaphthalene-1,4-dione?
The InChIKey is XDWMSSLGUWISKX-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5,11-12H,1H3/b12-8+.
What are the key properties of 2-imino-3-methoxynaphthalene-1,4-dione?
2-imino-3-methoxynaphthalene-1,4-dione has a molecular weight of 203.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 123479688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).