2,5-dihydrocyclohepta[c]pyridin-1-one

C10H9NO — CID 143158045

IUPAC2,5-dihydrocyclohepta[c]pyridin-1-one
SMILESO=c1[nH]ccc2c1C=CC=CC2
InChIInChI=1S/C10H9NO/c12-10-9-5-3-1-2-4-8(9)6-7-11-10/h1-3,5-7H,4H2,(H,11,12)
InChIKeyPSZMRIPXJANBIW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.50
Rot. Bonds

About 2,5-dihydrocyclohepta[c]pyridin-1-one

2,5-dihydrocyclohepta[c]pyridin-1-one (PubChem CID 143158045) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,5-dihydrocyclohepta[c]pyridin-1-one.

Molecular Properties

Compound Name2,5-dihydrocyclohepta[c]pyridin-1-one
PubChem CID143158045
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,5-dihydrocyclohepta[c]pyridin-1-one
SMILESO=c1[nH]ccc2c1C=CC=CC2
InChIInChI=1S/C10H9NO/c12-10-9-5-3-1-2-4-8(9)6-7-11-10/h1-3,5-7H,4H2,(H,11,12)
InChIKeyPSZMRIPXJANBIW-UHFFFAOYSA-N
XLogP1.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydrocyclohepta[c]pyridin-1-one?
The IUPAC name of 2,5-dihydrocyclohepta[c]pyridin-1-one (CID 143158045) is 2,5-dihydrocyclohepta[c]pyridin-1-one.
What is the SMILES notation for 2,5-dihydrocyclohepta[c]pyridin-1-one?
The canonical SMILES for 2,5-dihydrocyclohepta[c]pyridin-1-one is O=c1[nH]ccc2c1C=CC=CC2.
What is the InChIKey of 2,5-dihydrocyclohepta[c]pyridin-1-one?
The InChIKey is PSZMRIPXJANBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-9-5-3-1-2-4-8(9)6-7-11-10/h1-3,5-7H,4H2,(H,11,12).
What are the key properties of 2,5-dihydrocyclohepta[c]pyridin-1-one?
2,5-dihydrocyclohepta[c]pyridin-1-one has a molecular weight of 159.19 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrocyclohepta[c]pyridin-1-one is sourced from PubChem (CID 143158045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).