tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate

C23H21NO4 — CID 169334623

IUPACtert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c2ccccc2c2cc(-c3ccc(C=O)o3)ccc21
InChIInChI=1S/C23H21NO4/c1-23(2,3)28-22(26)13-24-19-7-5-4-6-17(19)18-12-15(8-10-20(18)24)21-11-9-16(14-25)27-21/h4-12,14H,13H2,1-3H3
InChIKeyZITCCBVDBXTWQN-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.21
Rot. Bonds4

About tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate

tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate (PubChem CID 169334623) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate
PubChem CID169334623
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Nametert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1c2ccccc2c2cc(-c3ccc(C=O)o3)ccc21
InChIInChI=1S/C23H21NO4/c1-23(2,3)28-22(26)13-24-19-7-5-4-6-17(19)18-12-15(8-10-20(18)24)21-11-9-16(14-25)27-21/h4-12,14H,13H2,1-3H3
InChIKeyZITCCBVDBXTWQN-UHFFFAOYSA-N
XLogP5.21
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-formylfuran-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489416
tert-butyl 6-(5-formylfuran-2-yl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 169333280
tert-butyl 2-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]carbazol-9-yl]acetate
CID 168582163
tert-butyl 2-[(5-formylfuran-2-yl)methylsulfanyl]acetate
CID 116687382
tert-butyl 6-(5-formylfuran-2-yl)-3,3-dimethyl-2H-indole-1-carboxylate
CID 169332941
tert-butyl 4-[4-(5-formylfuran-2-yl)-2-methylphenyl]piperazine-1-carboxylate
CID 169334378
tert-butyl 8-(5-formylfuran-2-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
CID 169335178
methyl 2-carbazol-9-ylacetate
CID 3745219
5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde
CID 169334349
tert-butyl 7-(5-formylfuran-2-yl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
CID 169335463
tert-butyl 2-(4-aminopyrimido[4,5-b]indol-9-yl)acetate
CID 156876855
3-[1,2-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-3-yl]propanoic acid
CID 175879484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate (CID 169334623) is tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate is CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(-c3ccc(C=O)o3)ccc21.
What is the InChIKey of tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate?
The InChIKey is ZITCCBVDBXTWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-23(2,3)28-22(26)13-24-19-7-5-4-6-17(19)18-12-15(8-10-20(18)24)21-11-9-16(14-25)27-21/h4-12,14H,13H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate?
tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate has a molecular weight of 375.42 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(5-formylfuran-2-yl)carbazol-9-yl]acetate is sourced from PubChem (CID 169334623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).