2-(1-methyl-3-nitroindol-7-yl)acetaldehyde

C11H10N2O3 — CID 83887938

IUPAC2-(1-methyl-3-nitroindol-7-yl)acetaldehyde
SMILESCn1cc([N+](=O)[O-])c2cccc(CC=O)c21
InChIInChI=1S/C11H10N2O3/c1-12-7-10(13(15)16)9-4-2-3-8(5-6-14)11(9)12/h2-4,6-7H,5H2,1H3
InChIKeyOFHASYZNNUMSKD-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.83
Rot. Bonds3

About 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde

2-(1-methyl-3-nitroindol-7-yl)acetaldehyde (PubChem CID 83887938) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-3-nitroindol-7-yl)acetaldehyde
PubChem CID83887938
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(1-methyl-3-nitroindol-7-yl)acetaldehyde
SMILESCn1cc([N+](=O)[O-])c2cccc(CC=O)c21
InChIInChI=1S/C11H10N2O3/c1-12-7-10(13(15)16)9-4-2-3-8(5-6-14)11(9)12/h2-4,6-7H,5H2,1H3
InChIKeyOFHASYZNNUMSKD-UHFFFAOYSA-N
XLogP1.83
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
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

(1-methyl-3-nitroindol-7-yl)methanamine
CID 83882353
2-(3-nitro-1H-indol-7-yl)acetaldehyde
CID 83881757
2-(3-hydroxy-2-nitrophenyl)acetaldehyde
CID 169410100
2-(1-methyl-3-nitroindol-4-yl)ethanamine
CID 83888685
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652
methanol;(2-nitrophenyl)methanol
CID 70046885
2-(5-nitroisoquinolin-4-yl)acetaldehyde
CID 58780825
(2-nitrophenyl)methanol
CID 11923
1-fluoro-3-nitroindole
CID 151458918
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
3-bromo-2-methyl-7-nitroindazole
CID 12558578
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde?
The IUPAC name of 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde (CID 83887938) is 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde is Cn1cc([N+](=O)[O-])c2cccc(CC=O)c21.
What is the InChIKey of 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde?
The InChIKey is OFHASYZNNUMSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-12-7-10(13(15)16)9-4-2-3-8(5-6-14)11(9)12/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde?
2-(1-methyl-3-nitroindol-7-yl)acetaldehyde has a molecular weight of 218.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-nitroindol-7-yl)acetaldehyde is sourced from PubChem (CID 83887938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).