3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C13H16N2O3 — CID 51054984

IUPAC3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCOCC1
InChIInChI=1S/C13H16N2O3/c16-12-10(8-9-2-1-3-11(9)14-12)13(17)15-4-6-18-7-5-15/h8H,1-7H2,(H,14,16)
InChIKeyGJDMNQDWMMGOPW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.34
Rot. Bonds1

About 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 51054984) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID51054984
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCOCC1
InChIInChI=1S/C13H16N2O3/c16-12-10(8-9-2-1-3-11(9)14-12)13(17)15-4-6-18-7-5-15/h8H,1-7H2,(H,14,16)
InChIKeyGJDMNQDWMMGOPW-UHFFFAOYSA-N
XLogP0.34
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 51054984) is 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is O=C(c1cc2c([nH]c1=O)CCC2)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is GJDMNQDWMMGOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12-10(8-9-2-1-3-11(9)14-12)13(17)15-4-6-18-7-5-15/h8H,1-7H2,(H,14,16).
What are the key properties of 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 51054984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).