actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde

C11H10AcN2O4 — CID 59074574

IUPACactinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde
SMILESCc1ccc2[nH]c(CO)c(C=O)c2c1[N+](=O)[O-].[Ac]
InChIInChI=1S/C11H10N2O4.Ac/c1-6-2-3-8-10(11(6)13(16)17)7(4-14)9(5-15)12-8;/h2-4,12,15H,5H2,1H3;
InChIKeyOPUVEQYMNMWHBL-UHFFFAOYSA-N
MW461.21 g/mol
LogP1.69
Rot. Bonds3

About actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde

actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde (PubChem CID 59074574) has the molecular formula C11H10AcN2O4 and a molecular weight of 461.21 g/mol. Its IUPAC name is actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Nameactinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde
PubChem CID59074574
Molecular FormulaC11H10AcN2O4
Molecular Weight461.21 g/mol
Exact Mass461.09
IUPAC Nameactinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde
SMILESCc1ccc2[nH]c(CO)c(C=O)c2c1[N+](=O)[O-].[Ac]
InChIInChI=1S/C11H10N2O4.Ac/c1-6-2-3-8-10(11(6)13(16)17)7(4-14)9(5-15)12-8;/h2-4,12,15H,5H2,1H3;
InChIKeyOPUVEQYMNMWHBL-UHFFFAOYSA-N
XLogP1.69
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methyl-8-nitro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 10609483
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
2-fluoro-4-methyl-3-nitrobenzaldehyde
CID 130767898
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
(3,4-dimethyl-2-nitrophenyl)methanol
CID 130867143
2-(5-methyl-4-nitro-1H-indol-3-yl)acetonitrile
CID 143201146
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
2-amino-3-(5-methyl-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473699
(3-bromo-6-methyl-2-nitrophenyl)methanol
CID 130776681
4-hydroxy-5-methyl-3-nitro-1H-quinolin-2-one
CID 54696489
ethane;3-methyl-2-nitrobenzaldehyde;propane
CID 165131834
3-methyl-4-nitro-1H-indole-2,5-dicarboxylic acid
CID 131884124

Frequently Asked Questions

What is the IUPAC name of actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde?
The IUPAC name of actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde (CID 59074574) is actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde.
What is the SMILES notation for actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde?
The canonical SMILES for actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde is Cc1ccc2[nH]c(CO)c(C=O)c2c1[N+](=O)[O-].[Ac].
What is the InChIKey of actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde?
The InChIKey is OPUVEQYMNMWHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4.Ac/c1-6-2-3-8-10(11(6)13(16)17)7(4-14)9(5-15)12-8;/h2-4,12,15H,5H2,1H3;.
What are the key properties of actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde?
actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde has a molecular weight of 461.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 59074574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).