1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid

C15H17NO2 — CID 114620486

IUPAC1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(C1C=CCCC1)CC2
InChIInChI=1S/C15H17NO2/c17-15(18)12-7-6-11-8-9-16(14(11)10-12)13-4-2-1-3-5-13/h2,4,6-7,10,13H,1,3,5,8-9H2,(H,17,18)
InChIKeyRDFUREKHBBKVRL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid

1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid (PubChem CID 114620486) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid
PubChem CID114620486
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(C1C=CCCC1)CC2
InChIInChI=1S/C15H17NO2/c17-15(18)12-7-6-11-8-9-16(14(11)10-12)13-4-2-1-3-5-13/h2,4,6-7,10,13H,1,3,5,8-9H2,(H,17,18)
InChIKeyRDFUREKHBBKVRL-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid (CID 114620486) is 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid is O=C(O)c1ccc2c(c1)N(C1C=CCCC1)CC2.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is RDFUREKHBBKVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)12-7-6-11-8-9-16(14(11)10-12)13-4-2-1-3-5-13/h2,4,6-7,10,13H,1,3,5,8-9H2,(H,17,18).
What are the key properties of 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid?
1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 114620486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).