6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione

C10H11NO2 — CID 58992895

IUPAC6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione
SMILESO=C1CCCCc2[nH]c(=O)ccc21
InChIInChI=1S/C10H11NO2/c12-9-4-2-1-3-8-7(9)5-6-10(13)11-8/h5-6H,1-4H2,(H,11,13)
InChIKeyCKHLTNGEKMEFNK-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.28
Rot. Bonds

About 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione

6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione (PubChem CID 58992895) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione
PubChem CID58992895
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione
SMILESO=C1CCCCc2[nH]c(=O)ccc21
InChIInChI=1S/C10H11NO2/c12-9-4-2-1-3-8-7(9)5-6-10(13)11-8/h5-6H,1-4H2,(H,11,13)
InChIKeyCKHLTNGEKMEFNK-UHFFFAOYSA-N
XLogP1.28
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione?
The IUPAC name of 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione (CID 58992895) is 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione.
What is the SMILES notation for 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione?
The canonical SMILES for 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione is O=C1CCCCc2[nH]c(=O)ccc21.
What is the InChIKey of 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione?
The InChIKey is CKHLTNGEKMEFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9-4-2-1-3-8-7(9)5-6-10(13)11-8/h5-6H,1-4H2,(H,11,13).
What are the key properties of 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione?
6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione has a molecular weight of 177.20 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-1H-cyclohepta[b]pyridine-2,5-dione is sourced from PubChem (CID 58992895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).