6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde

C18H17NO2 — CID 5278450

IUPAC6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
SMILESCC(C)=CCc1c(O)ccc2[nH]c3ccc(C=O)cc3c12
InChIInChI=1S/C18H17NO2/c1-11(2)3-5-13-17(21)8-7-16-18(13)14-9-12(10-20)4-6-15(14)19-16/h3-4,6-10,19,21H,5H2,1-2H3
InChIKeyGCNGRDPCOLMSIC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.35
Rot. Bonds3

About 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde

6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde (PubChem CID 5278450) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
PubChem CID5278450
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde
SMILESCC(C)=CCc1c(O)ccc2[nH]c3ccc(C=O)cc3c12
InChIInChI=1S/C18H17NO2/c1-11(2)3-5-13-17(21)8-7-16-18(13)14-9-12(10-20)4-6-15(14)19-16/h3-4,6-10,19,21H,5H2,1-2H3
InChIKeyGCNGRDPCOLMSIC-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
The IUPAC name of 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde (CID 5278450) is 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde is CC(C)=CCc1c(O)ccc2[nH]c3ccc(C=O)cc3c12.
What is the InChIKey of 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
The InChIKey is GCNGRDPCOLMSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11(2)3-5-13-17(21)8-7-16-18(13)14-9-12(10-20)4-6-15(14)19-16/h3-4,6-10,19,21H,5H2,1-2H3.
What are the key properties of 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde?
6-hydroxy-5-(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 6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 5278450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).