2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde

C20H21NO2 — CID 54768473

IUPAC2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde
SMILESCOc1c(C=O)cc2c3ccccc3n(C)c2c1CC=C(C)C
InChIInChI=1S/C20H21NO2/c1-13(2)9-10-16-19-17(11-14(12-22)20(16)23-4)15-7-5-6-8-18(15)21(19)3/h5-9,11-12H,10H2,1-4H3
InChIKeyLVJTZGAXSDRXPI-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.66
Rot. Bonds4

About 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde

2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde (PubChem CID 54768473) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde
PubChem CID54768473
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde
SMILESCOc1c(C=O)cc2c3ccccc3n(C)c2c1CC=C(C)C
InChIInChI=1S/C20H21NO2/c1-13(2)9-10-16-19-17(11-14(12-22)20(16)23-4)15-7-5-6-8-18(15)21(19)3/h5-9,11-12H,10H2,1-4H3
InChIKeyLVJTZGAXSDRXPI-UHFFFAOYSA-N
XLogP4.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
The IUPAC name of 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde (CID 54768473) is 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
The canonical SMILES for 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde is COc1c(C=O)cc2c3ccccc3n(C)c2c1CC=C(C)C.
What is the InChIKey of 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
The InChIKey is LVJTZGAXSDRXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13(2)9-10-16-19-17(11-14(12-22)20(16)23-4)15-7-5-6-8-18(15)21(19)3/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde?
2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde has a molecular weight of 307.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-methyl-1-(3-methylbut-2-enyl)carbazole-3-carbaldehyde is sourced from PubChem (CID 54768473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).