1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid

C14H11NO2 — CID 118865253

IUPAC1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid
SMILESO=C(O)C1=CNC2C=C3C=CC=CC=C3C=C12
InChIInChI=1S/C14H11NO2/c16-14(17)12-8-15-13-7-10-5-3-1-2-4-9(10)6-11(12)13/h1-8,13,15H,(H,16,17)
InChIKeyCNAUGEPODZZRCR-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.85
Rot. Bonds1

About 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid

1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid (PubChem CID 118865253) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid.

Molecular Properties

Compound Name1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid
PubChem CID118865253
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid
SMILESO=C(O)C1=CNC2C=C3C=CC=CC=C3C=C12
InChIInChI=1S/C14H11NO2/c16-14(17)12-8-15-13-7-10-5-3-1-2-4-9(10)6-11(12)13/h1-8,13,15H,(H,16,17)
InChIKeyCNAUGEPODZZRCR-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid?
The IUPAC name of 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid (CID 118865253) is 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid.
What is the SMILES notation for 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid?
The canonical SMILES for 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid is O=C(O)C1=CNC2C=C3C=CC=CC=C3C=C12.
What is the InChIKey of 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid?
The InChIKey is CNAUGEPODZZRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)12-8-15-13-7-10-5-3-1-2-4-9(10)6-11(12)13/h1-8,13,15H,(H,16,17).
What are the key properties of 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid?
1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10a-dihydrocyclohepta[f]indole-3-carboxylic acid is sourced from PubChem (CID 118865253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).