2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid

C18H19FN2O2 — CID 11493372

IUPAC2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCCc2c1[nH]c1c(F)ccc(C#N)c21
InChIInChI=1S/C18H19FN2O2/c1-2-7-18(9-14(22)23)8-3-4-12-15-11(10-20)5-6-13(19)16(15)21-17(12)18/h5-6,21H,2-4,7-9H2,1H3,(H,22,23)
InChIKeyNQNDJICKBDRTND-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.03
Rot. Bonds4

About 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid

2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid (PubChem CID 11493372) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
PubChem CID11493372
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCCc2c1[nH]c1c(F)ccc(C#N)c21
InChIInChI=1S/C18H19FN2O2/c1-2-7-18(9-14(22)23)8-3-4-12-15-11(10-20)5-6-13(19)16(15)21-17(12)18/h5-6,21H,2-4,7-9H2,1H3,(H,22,23)
InChIKeyNQNDJICKBDRTND-UHFFFAOYSA-N
XLogP4.03
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The IUPAC name of 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid (CID 11493372) is 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid is CCCC1(CC(=O)O)CCCc2c1[nH]c1c(F)ccc(C#N)c21.
What is the InChIKey of 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The InChIKey is NQNDJICKBDRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-7-18(9-14(22)23)8-3-4-12-15-11(10-20)5-6-13(19)16(15)21-17(12)18/h5-6,21H,2-4,7-9H2,1H3,(H,22,23).
What are the key properties of 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid has a molecular weight of 314.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-8-fluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid is sourced from PubChem (CID 11493372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).