9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde

C12H10N2O2 — CID 87944332

IUPAC9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde
SMILESCOc1cccc2c1-c1nc(C=O)cn1C2
InChIInChI=1S/C12H10N2O2/c1-16-10-4-2-3-8-5-14-6-9(7-15)13-12(14)11(8)10/h2-4,6-7H,5H2,1H3
InChIKeyFNJLHXRLOPHIFI-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.73
Rot. Bonds2

About 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde

9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde (PubChem CID 87944332) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde.

Molecular Properties

Compound Name9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde
PubChem CID87944332
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde
SMILESCOc1cccc2c1-c1nc(C=O)cn1C2
InChIInChI=1S/C12H10N2O2/c1-16-10-4-2-3-8-5-14-6-9(7-15)13-12(14)11(8)10/h2-4,6-7H,5H2,1H3
InChIKeyFNJLHXRLOPHIFI-UHFFFAOYSA-N
XLogP1.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-4-carbaldehyde
CID 87943679
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057497
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
CID 84669489
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
5-methoxy-4-methyl-1H-phthalazin-2-ium 2-oxide
CID 87578277
7-methoxy-2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
CID 90166796
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
5-methoxyisoquinoline-3-carbaldehyde
CID 91262659
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419
5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde
CID 151511339

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde?
The IUPAC name of 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde (CID 87944332) is 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde.
What is the SMILES notation for 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde?
The canonical SMILES for 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde is COc1cccc2c1-c1nc(C=O)cn1C2.
What is the InChIKey of 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde?
The InChIKey is FNJLHXRLOPHIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-10-4-2-3-8-5-14-6-9(7-15)13-12(14)11(8)10/h2-4,6-7H,5H2,1H3.
What are the key properties of 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde?
9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5H-imidazo[2,1-a]isoindole-2-carbaldehyde is sourced from PubChem (CID 87944332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).