2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid

C14H15NO2 — CID 66634164

IUPAC2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid
SMILESO=C(O)Cc1cccn2cc3c(c12)CCCC3
InChIInChI=1S/C14H15NO2/c16-13(17)8-10-5-3-7-15-9-11-4-1-2-6-12(11)14(10)15/h3,5,7,9H,1-2,4,6,8H2,(H,16,17)
InChIKeyIZNYOUNUBFSJCM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.45
Rot. Bonds2

About 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid

2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid (PubChem CID 66634164) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid
PubChem CID66634164
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid
SMILESO=C(O)Cc1cccn2cc3c(c12)CCCC3
InChIInChI=1S/C14H15NO2/c16-13(17)8-10-5-3-7-15-9-11-4-1-2-6-12(11)14(10)15/h3,5,7,9H,1-2,4,6,8H2,(H,16,17)
InChIKeyIZNYOUNUBFSJCM-UHFFFAOYSA-N
XLogP2.45
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid?
The IUPAC name of 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid (CID 66634164) is 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid?
The canonical SMILES for 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid is O=C(O)Cc1cccn2cc3c(c12)CCCC3.
What is the InChIKey of 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid?
The InChIKey is IZNYOUNUBFSJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13(17)8-10-5-3-7-15-9-11-4-1-2-6-12(11)14(10)15/h3,5,7,9H,1-2,4,6,8H2,(H,16,17).
What are the key properties of 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid?
2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid has a molecular weight of 229.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8,9,10-tetrahydropyrido[2,1-a]isoindol-1-yl)acetic acid is sourced from PubChem (CID 66634164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).