2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde

C18H17NO2 — CID 5318015

IUPAC2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
SMILESCC(C)=CCc1c(O)c(C=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3
InChIKeyICYHRFZZQCYWNF-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.35
Rot. Bonds3

About 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde

2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde (PubChem CID 5318015) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
PubChem CID5318015
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
SMILESCC(C)=CCc1c(O)c(C=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3
InChIKeyICYHRFZZQCYWNF-UHFFFAOYSA-N
XLogP4.35
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-1-(3-methylbut-2-enyl)-9H-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

Related Compounds

2-Hydroxycarbazole-3-carboxylic acid 4-chloroanilide
CID 67238
3-Methyl-1-(3-methyl-2-buten-1-yl)-9H-carbazol-2-ol
CID 5209
Mukonal
CID 504068
3-methyl-9H-carbazol-2-ol
CID 3459141
Mukonidine
CID 10999153
7-Hydroxyheptaphylline
CID 15767846
Clausine L
CID 24898872
Murrayanol
CID 9975970
2-(4-hydroxyphenyl)-1H-indole-3-carbaldehyde
CID 56970142
7-Methoxyheptaphylline
CID 189688
1-Hydroxy-9H-carbazole-3-carbaldehyde
CID 611174
Clauszoline K
CID 10537169

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
The IUPAC name of 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde (CID 5318015) is 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde is CC(C)=CCc1c(O)c(C=O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
The InChIKey is ICYHRFZZQCYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11(2)7-8-14-17-15(9-12(10-20)18(14)21)13-5-3-4-6-16(13)19-17/h3-7,9-10,19,21H,8H2,1-2H3.
What are the key properties of 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde has a molecular weight of 279.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 5318015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).