2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid

C16H19NO2 — CID 84742392

IUPAC2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
SMILESCc1ccc2c3c([nH]c2c1C)CCCC3CC(=O)O
InChIInChI=1S/C16H19NO2/c1-9-6-7-12-15-11(8-14(18)19)4-3-5-13(15)17-16(12)10(9)2/h6-7,11,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyKPSYXVOPDRFKQI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.68
Rot. Bonds2

About 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid

2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid (PubChem CID 84742392) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
PubChem CID84742392
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
SMILESCc1ccc2c3c([nH]c2c1C)CCCC3CC(=O)O
InChIInChI=1S/C16H19NO2/c1-9-6-7-12-15-11(8-14(18)19)4-3-5-13(15)17-16(12)10(9)2/h6-7,11,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyKPSYXVOPDRFKQI-UHFFFAOYSA-N
XLogP3.68
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
The IUPAC name of 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid (CID 84742392) is 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid.
What is the SMILES notation for 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
The canonical SMILES for 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid is Cc1ccc2c3c([nH]c2c1C)CCCC3CC(=O)O.
What is the InChIKey of 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
The InChIKey is KPSYXVOPDRFKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-9-6-7-12-15-11(8-14(18)19)4-3-5-13(15)17-16(12)10(9)2/h6-7,11,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid has a molecular weight of 257.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid is sourced from PubChem (CID 84742392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).