2-(hydroxymethyliminomethyl)indene-1,3-dione

C11H9NO3 — CID 7113706

IUPAC2-(hydroxymethyliminomethyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C=NCO
InChIInChI=1S/C11H9NO3/c13-6-12-5-9-10(14)7-3-1-2-4-8(7)11(9)15/h1-5,9,13H,6H2
InChIKeyWSVXANCEAONKEW-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.70
Rot. Bonds2

About 2-(hydroxymethyliminomethyl)indene-1,3-dione

2-(hydroxymethyliminomethyl)indene-1,3-dione (PubChem CID 7113706) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(hydroxymethyliminomethyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(hydroxymethyliminomethyl)indene-1,3-dione
PubChem CID7113706
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(hydroxymethyliminomethyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C=NCO
InChIInChI=1S/C11H9NO3/c13-6-12-5-9-10(14)7-3-1-2-4-8(7)11(9)15/h1-5,9,13H,6H2
InChIKeyWSVXANCEAONKEW-UHFFFAOYSA-N
XLogP0.70
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.70
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'}

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Related Compounds

4-[2-[(1,3-dioxoinden-2-yl)methylideneamino]ethyl]-N-phenylpiperazine-1-carbothioamide
CID 6997137
2-hydroxyindene-1,3-dione
CID 10219583
2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one
CID 51576390
(1S,3S,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 92537111
(1S,3R,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 98085181
ethyl 2-[(1,3-dioxoinden-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxylate
CID 4156714
2-(1,3-dioxoinden-2-yl)acetaldehyde
CID 170000010
1,4-bis(2-hydroxyethylamino)-4a,9a-dihydroanthracene-9,10-dione
CID 71594903
2-(phenyliminomethyl)cyclopenta[b]naphthalene-1,3-dione
CID 123318899
3-(3-phenylprop-1-enyl)naphthalene-1,2,4-trione
CID 91359379
(4S)-4-(2-hydroxyethyliminomethyl)-2-(4-methylphenyl)-4H-isoquinoline-1,3-dione
CID 7640283
2-(1,3-dioxoinden-2-yl)acetamide
CID 69094521

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyliminomethyl)indene-1,3-dione?
The IUPAC name of 2-(hydroxymethyliminomethyl)indene-1,3-dione (CID 7113706) is 2-(hydroxymethyliminomethyl)indene-1,3-dione.
What is the SMILES notation for 2-(hydroxymethyliminomethyl)indene-1,3-dione?
The canonical SMILES for 2-(hydroxymethyliminomethyl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1C=NCO.
What is the InChIKey of 2-(hydroxymethyliminomethyl)indene-1,3-dione?
The InChIKey is WSVXANCEAONKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-6-12-5-9-10(14)7-3-1-2-4-8(7)11(9)15/h1-5,9,13H,6H2.
What are the key properties of 2-(hydroxymethyliminomethyl)indene-1,3-dione?
2-(hydroxymethyliminomethyl)indene-1,3-dione has a molecular weight of 203.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyliminomethyl)indene-1,3-dione is sourced from PubChem (CID 7113706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).