propyl 2-carbazol-9-ylpropanoate

C18H19NO2 — CID 20752206

IUPACpropyl 2-carbazol-9-ylpropanoate
SMILESCCCOC(=O)C(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19NO2/c1-3-12-21-18(20)13(2)19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-11,13H,3,12H2,1-2H3
InChIKeyDHJGDAHRJXVSQM-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.31
Rot. Bonds4

About propyl 2-carbazol-9-ylpropanoate

propyl 2-carbazol-9-ylpropanoate (PubChem CID 20752206) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is propyl 2-carbazol-9-ylpropanoate.

Molecular Properties

Compound Namepropyl 2-carbazol-9-ylpropanoate
PubChem CID20752206
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namepropyl 2-carbazol-9-ylpropanoate
SMILESCCCOC(=O)C(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19NO2/c1-3-12-21-18(20)13(2)19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-11,13H,3,12H2,1-2H3
InChIKeyDHJGDAHRJXVSQM-UHFFFAOYSA-N
XLogP4.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide
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tert-butyl 2-carbazol-9-ylbutanoate
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triphenyl(propoxycarbonyl)phosphanium
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CID 129411918
propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
CID 82359019
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
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triphenyl(propoxycarbonyl)phosphanium bromide
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dipropyl 2-(3-methyl-1-phenylbutyl)propanedioate
CID 118088376

Frequently Asked Questions

What is the IUPAC name of propyl 2-carbazol-9-ylpropanoate?
The IUPAC name of propyl 2-carbazol-9-ylpropanoate (CID 20752206) is propyl 2-carbazol-9-ylpropanoate.
What is the SMILES notation for propyl 2-carbazol-9-ylpropanoate?
The canonical SMILES for propyl 2-carbazol-9-ylpropanoate is CCCOC(=O)C(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of propyl 2-carbazol-9-ylpropanoate?
The InChIKey is DHJGDAHRJXVSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-12-21-18(20)13(2)19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-11,13H,3,12H2,1-2H3.
What are the key properties of propyl 2-carbazol-9-ylpropanoate?
propyl 2-carbazol-9-ylpropanoate has a molecular weight of 281.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-carbazol-9-ylpropanoate is sourced from PubChem (CID 20752206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).