1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone

C13H15NO — CID 163829432

IUPAC1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone
SMILESCC(=O)C1CC2=CC=CC=CC=C2CN1
InChIInChI=1S/C13H15NO/c1-10(15)13-8-11-6-4-2-3-5-7-12(11)9-14-13/h2-7,13-14H,8-9H2,1H3
InChIKeyOCKFMCWTNXNKOI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.92
Rot. Bonds1

About 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone

1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone (PubChem CID 163829432) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone
PubChem CID163829432
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone
SMILESCC(=O)C1CC2=CC=CC=CC=C2CN1
InChIInChI=1S/C13H15NO/c1-10(15)13-8-11-6-4-2-3-5-7-12(11)9-14-13/h2-7,13-14H,8-9H2,1H3
InChIKeyOCKFMCWTNXNKOI-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone?
The IUPAC name of 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone (CID 163829432) is 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone is CC(=O)C1CC2=CC=CC=CC=C2CN1.
What is the InChIKey of 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone?
The InChIKey is OCKFMCWTNXNKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(15)13-8-11-6-4-2-3-5-7-12(11)9-14-13/h2-7,13-14H,8-9H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone?
1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone is sourced from PubChem (CID 163829432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).