2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde

C21H23NO3 — CID 54768506

IUPAC2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde
SMILESCOc1ccc2c3cc(C=O)c(OC)c(CC=C(C)C)c3n(C)c2c1
InChIInChI=1S/C21H23NO3/c1-13(2)6-8-17-20-18(10-14(12-23)21(17)25-5)16-9-7-15(24-4)11-19(16)22(20)3/h6-7,9-12H,8H2,1-5H3
InChIKeyBCJZAHCTJNNSIX-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.67
Rot. Bonds5

About 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde

2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde (PubChem CID 54768506) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde.

Molecular Properties

Compound Name2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde
PubChem CID54768506
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde
SMILESCOc1ccc2c3cc(C=O)c(OC)c(CC=C(C)C)c3n(C)c2c1
InChIInChI=1S/C21H23NO3/c1-13(2)6-8-17-20-18(10-14(12-23)21(17)25-5)16-9-7-15(24-4)11-19(16)22(20)3/h6-7,9-12H,8H2,1-5H3
InChIKeyBCJZAHCTJNNSIX-UHFFFAOYSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
The IUPAC name of 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde (CID 54768506) is 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde.
What is the SMILES notation for 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
The canonical SMILES for 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde is COc1ccc2c3cc(C=O)c(OC)c(CC=C(C)C)c3n(C)c2c1.
What is the InChIKey of 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
The InChIKey is BCJZAHCTJNNSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13(2)6-8-17-20-18(10-14(12-23)21(17)25-5)16-9-7-15(24-4)11-19(16)22(20)3/h6-7,9-12H,8H2,1-5H3.
What are the key properties of 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde has a molecular weight of 337.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde is sourced from PubChem (CID 54768506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).