1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one

C10H15NO — CID 15305178

IUPAC1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one
SMILESO=C1CCC2CCCCC=C2N1
InChIInChI=1S/C10H15NO/c12-10-7-6-8-4-2-1-3-5-9(8)11-10/h5,8H,1-4,6-7H2,(H,11,12)
InChIKeyXKAXPKWJANUNFR-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.97
Rot. Bonds

About 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one

1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one (PubChem CID 15305178) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one.

Molecular Properties

Compound Name1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one
PubChem CID15305178
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one
SMILESO=C1CCC2CCCCC=C2N1
InChIInChI=1S/C10H15NO/c12-10-7-6-8-4-2-1-3-5-9(8)11-10/h5,8H,1-4,6-7H2,(H,11,12)
InChIKeyXKAXPKWJANUNFR-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one?
The IUPAC name of 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one (CID 15305178) is 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one.
What is the SMILES notation for 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one?
The canonical SMILES for 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one is O=C1CCC2CCCCC=C2N1.
What is the InChIKey of 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one?
The InChIKey is XKAXPKWJANUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-10-7-6-8-4-2-1-3-5-9(8)11-10/h5,8H,1-4,6-7H2,(H,11,12).
What are the key properties of 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one?
1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a,5,6,7,8-octahydrocyclohepta[b]pyridin-2-one is sourced from PubChem (CID 15305178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).