2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid

C11H9NO3 — CID 12852668

IUPAC2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
SMILESO=C(O)Cn1c2cccccc-2cc1=O
InChIInChI=1S/C11H9NO3/c13-10-6-8-4-2-1-3-5-9(8)12(10)7-11(14)15/h1-6H,7H2,(H,14,15)
InChIKeyHKMVLKCUUVXOKJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.04
Rot. Bonds2

About 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid

2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid (PubChem CID 12852668) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
PubChem CID12852668
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
SMILESO=C(O)Cn1c2cccccc-2cc1=O
InChIInChI=1S/C11H9NO3/c13-10-6-8-4-2-1-3-5-9(8)12(10)7-11(14)15/h1-6H,7H2,(H,14,15)
InChIKeyHKMVLKCUUVXOKJ-UHFFFAOYSA-N
XLogP1.04
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Carboxymethyl)-2-oxocyclohepta[b]pyrrole-3-carboxylic acid
CID 12852661
2-(3-Acetyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
CID 12852671
2-(3-Ethyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
CID 12852673
2-(3-Cyano-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
CID 12852683
2-(3-Carbamoyl-2-oxocyclohepta[b]pyrrol-1-yl)acetic acid
CID 12852685
2-[3-[Carboxymethyl(methyl)carbamoyl]-6-chloro-2-oxocyclohepta[b]pyrrol-1-yl]acetic acid
CID 12852688
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)acetic acid
CID 46785850
Ethyl 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 56633212
2-(4-Ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium
CID 59959844
2-(2-oxo-4,8-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 69986894
2-(2-Oxo-6-propan-2-yl-1-pyridinyl)acetic acid
CID 89965745
2-(2-Cyclobutylidene-5-oxopyrrol-1-yl)acetic acid
CID 132133873

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
The IUPAC name of 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid (CID 12852668) is 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid is O=C(O)Cn1c2cccccc-2cc1=O.
What is the InChIKey of 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
The InChIKey is HKMVLKCUUVXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-6-8-4-2-1-3-5-9(8)12(10)7-11(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid?
2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetic acid is sourced from PubChem (CID 12852668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).