7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde

C14H15NO2 — CID 87746150

IUPAC7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
SMILESCOc1ccc2c3c([nH]c2c1)CCC(C=O)C3
InChIInChI=1S/C14H15NO2/c1-17-10-3-4-11-12-6-9(8-16)2-5-13(12)15-14(11)7-10/h3-4,7-9,15H,2,5-6H2,1H3
InChIKeyACFLOBUYDXZEFE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.48
Rot. Bonds2

About 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde

7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde (PubChem CID 87746150) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
PubChem CID87746150
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
SMILESCOc1ccc2c3c([nH]c2c1)CCC(C=O)C3
InChIInChI=1S/C14H15NO2/c1-17-10-3-4-11-12-6-9(8-16)2-5-13(12)15-14(11)7-10/h3-4,7-9,15H,2,5-6H2,1H3
InChIKeyACFLOBUYDXZEFE-UHFFFAOYSA-N
XLogP2.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 97104269
3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
CID 53362916
3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 65335189
7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid
CID 175059402
7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 13491216
7-methoxy-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462438
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 113097150
3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde?
The IUPAC name of 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde (CID 87746150) is 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde?
The canonical SMILES for 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde is COc1ccc2c3c([nH]c2c1)CCC(C=O)C3.
What is the InChIKey of 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde?
The InChIKey is ACFLOBUYDXZEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-10-3-4-11-12-6-9(8-16)2-5-13(12)15-14(11)7-10/h3-4,7-9,15H,2,5-6H2,1H3.
What are the key properties of 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde?
7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde is sourced from PubChem (CID 87746150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).