1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid

C16H13NO2 — CID 144788734

IUPAC1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=C1C(=CCC3=C1CCC3)N=2
InChIInChI=1S/C16H13NO2/c18-16(19)10-5-6-13-12(8-10)15-11-3-1-2-9(11)4-7-14(15)17-13/h5-8H,1-4H2,(H,18,19)
InChIKeyOKPLLKYZNGYTHJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.94
Rot. Bonds1

About 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid

1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid (PubChem CID 144788734) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid
PubChem CID144788734
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=C1C(=CCC3=C1CCC3)N=2
InChIInChI=1S/C16H13NO2/c18-16(19)10-5-6-13-12(8-10)15-11-3-1-2-9(11)4-7-14(15)17-13/h5-8H,1-4H2,(H,18,19)
InChIKeyOKPLLKYZNGYTHJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid (CID 144788734) is 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid is O=C(O)c1ccc2c(c1)=C1C(=CCC3=C1CCC3)N=2.
What is the InChIKey of 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid?
The InChIKey is OKPLLKYZNGYTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(19)10-5-6-13-12(8-10)15-11-3-1-2-9(11)4-7-14(15)17-13/h5-8H,1-4H2,(H,18,19).
What are the key properties of 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid?
1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrocyclopenta[c]carbazole-9-carboxylic acid is sourced from PubChem (CID 144788734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).