2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid

C11H10N2O3 — CID 5309967

IUPAC2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2c1-c1ccoc1CC2
InChIInChI=1S/C11H10N2O3/c14-10(15)6-13-11-7(5-12-13)1-2-9-8(11)3-4-16-9/h3-5H,1-2,6H2,(H,14,15)
InChIKeyFEDGGMFZXHXBQS-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.33
Rot. Bonds2

About 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid

2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid (PubChem CID 5309967) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid
PubChem CID5309967
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2c1-c1ccoc1CC2
InChIInChI=1S/C11H10N2O3/c14-10(15)6-13-11-7(5-12-13)1-2-9-8(11)3-4-16-9/h3-5H,1-2,6H2,(H,14,15)
InChIKeyFEDGGMFZXHXBQS-UHFFFAOYSA-N
XLogP1.33
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid?
The IUPAC name of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid (CID 5309967) is 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid?
The canonical SMILES for 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid is O=C(O)Cn1ncc2c1-c1ccoc1CC2.
What is the InChIKey of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid?
The InChIKey is FEDGGMFZXHXBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10(15)6-13-11-7(5-12-13)1-2-9-8(11)3-4-16-9/h3-5H,1-2,6H2,(H,14,15).
What are the key properties of 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid?
2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)acetic acid is sourced from PubChem (CID 5309967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).