9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

C17H14N2O — CID 52940742

IUPAC9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESCCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c21
InChIInChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3
InChIKeyZRRGYYZOLYHGAW-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.18
Rot. Bonds2

About 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 52940742) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID52940742
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESCCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c21
InChIInChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3
InChIKeyZRRGYYZOLYHGAW-UHFFFAOYSA-N
XLogP4.18
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 52940742) is 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is CCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c21.
What is the InChIKey of 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is ZRRGYYZOLYHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3.
What are the key properties of 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 52940742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).