6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid

C14H13NO2 — CID 118279359

IUPAC6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid
SMILESO=C(O)C1=CN2CCc3ccccc3C2=CC1
InChIInChI=1S/C14H13NO2/c16-14(17)11-5-6-13-12-4-2-1-3-10(12)7-8-15(13)9-11/h1-4,6,9H,5,7-8H2,(H,16,17)
InChIKeyYTMXGMUMIVENHO-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.26
Rot. Bonds1

About 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid

6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid (PubChem CID 118279359) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid
PubChem CID118279359
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid
SMILESO=C(O)C1=CN2CCc3ccccc3C2=CC1
InChIInChI=1S/C14H13NO2/c16-14(17)11-5-6-13-12-4-2-1-3-10(12)7-8-15(13)9-11/h1-4,6,9H,5,7-8H2,(H,16,17)
InChIKeyYTMXGMUMIVENHO-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid (CID 118279359) is 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid is O=C(O)C1=CN2CCc3ccccc3C2=CC1.
What is the InChIKey of 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid?
The InChIKey is YTMXGMUMIVENHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)11-5-6-13-12-4-2-1-3-10(12)7-8-15(13)9-11/h1-4,6,9H,5,7-8H2,(H,16,17).
What are the key properties of 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid?
6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-2H-benzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 118279359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).