5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

C19H19FN2O2 — CID 11688432

IUPAC5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESN#Cc1ccc(F)c2[nH]c3c(c12)CCCC3(CC1CCC1)C(=O)O
InChIInChI=1S/C19H19FN2O2/c20-14-7-6-12(10-21)15-13-5-2-8-19(18(23)24,9-11-3-1-4-11)17(13)22-16(14)15/h6-7,11,22H,1-5,8-9H2,(H,23,24)
InChIKeyBGJZMLAKAFRASM-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.03
Rot. Bonds3

About 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 11688432) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
PubChem CID11688432
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESN#Cc1ccc(F)c2[nH]c3c(c12)CCCC3(CC1CCC1)C(=O)O
InChIInChI=1S/C19H19FN2O2/c20-14-7-6-12(10-21)15-13-5-2-8-19(18(23)24,9-11-3-1-4-11)17(13)22-16(14)15/h6-7,11,22H,1-5,8-9H2,(H,23,24)
InChIKeyBGJZMLAKAFRASM-UHFFFAOYSA-N
XLogP4.03
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (CID 11688432) is 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is N#Cc1ccc(F)c2[nH]c3c(c12)CCCC3(CC1CCC1)C(=O)O.
What is the InChIKey of 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is BGJZMLAKAFRASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-14-7-6-12(10-21)15-13-5-2-8-19(18(23)24,9-11-3-1-4-11)17(13)22-16(14)15/h6-7,11,22H,1-5,8-9H2,(H,23,24).
What are the key properties of 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-(cyclobutylmethyl)-8-fluoro-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 11688432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).