2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid

C12H12N2O2 — CID 69473778

IUPAC2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid
SMILESO=C(O)CC1CCc2c1[nH]c1ccncc21
InChIInChI=1S/C12H12N2O2/c15-11(16)5-7-1-2-8-9-6-13-4-3-10(9)14-12(7)8/h3-4,6-7,14H,1-2,5H2,(H,15,16)
InChIKeyVTUQVTDYZAQVOB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.07
Rot. Bonds2

About 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid

2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid (PubChem CID 69473778) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid
PubChem CID69473778
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid
SMILESO=C(O)CC1CCc2c1[nH]c1ccncc21
InChIInChI=1S/C12H12N2O2/c15-11(16)5-7-1-2-8-9-6-13-4-3-10(9)14-12(7)8/h3-4,6-7,14H,1-2,5H2,(H,15,16)
InChIKeyVTUQVTDYZAQVOB-UHFFFAOYSA-N
XLogP2.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid?
The IUPAC name of 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid (CID 69473778) is 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid.
What is the SMILES notation for 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid?
The canonical SMILES for 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid is O=C(O)CC1CCc2c1[nH]c1ccncc21.
What is the InChIKey of 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid?
The InChIKey is VTUQVTDYZAQVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(16)5-7-1-2-8-9-6-13-4-3-10(9)14-12(7)8/h3-4,6-7,14H,1-2,5H2,(H,15,16).
What are the key properties of 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid?
2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid is sourced from PubChem (CID 69473778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).