3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

C23H23NO2 — CID 102219164

IUPAC3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCC(C)=CCCC1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1
InChIInChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3
InChIKeyVEZSSHVWEILOAM-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.04
Rot. Bonds4

About 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde (PubChem CID 102219164) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
PubChem CID102219164
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCC(C)=CCCC1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1
InChIInChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3
InChIKeyVEZSSHVWEILOAM-UHFFFAOYSA-N
XLogP6.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-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 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The IUPAC name of 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde (CID 102219164) is 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde.
What is the SMILES notation for 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The canonical SMILES for 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde is CC(C)=CCCC1(C)C=Cc2c(c(C=O)cc3c2[nH]c2ccccc23)O1.
What is the InChIKey of 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The InChIKey is VEZSSHVWEILOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3.
What are the key properties of 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde?
3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde has a molecular weight of 345.44 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde is sourced from PubChem (CID 102219164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).