2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione

C11H9NO3 — CID 5375044

IUPAC2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione
SMILESC/C(=N/O)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-6(12-15)9-10(13)7-4-2-3-5-8(7)11(9)14/h2-5,9,15H,1H3/b12-6-
InChIKeyPUPVXNUXPWTHAI-SDQBBNPISA-N
MW203.20 g/mol
LogP1.53
Rot. Bonds1

About 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione (PubChem CID 5375044) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione
PubChem CID5375044
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione
SMILESC/C(=N/O)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-6(12-15)9-10(13)7-4-2-3-5-8(7)11(9)14/h2-5,9,15H,1H3/b12-6-
InChIKeyPUPVXNUXPWTHAI-SDQBBNPISA-N
XLogP1.53
TPSA66.73 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione?
The IUPAC name of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione (CID 5375044) is 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione is C/C(=N/O)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione?
The InChIKey is PUPVXNUXPWTHAI-SDQBBNPISA-N. The full InChI is InChI=1S/C11H9NO3/c1-6(12-15)9-10(13)7-4-2-3-5-8(7)11(9)14/h2-5,9,15H,1H3/b12-6-.
What are the key properties of 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione?
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione has a molecular weight of 203.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]indene-1,3-dione is sourced from PubChem (CID 5375044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).