3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

C11H13NO2 — CID 163532477

IUPAC3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCCC(=O)c1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C11H13NO2/c1-2-10(13)8-6-12-9-5-3-4-7(9)11(8)14/h6H,2-5H2,1H3,(H,12,14)
InChIKeyDUDPFBIVWVVDLR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.46
Rot. Bonds2

About 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (PubChem CID 163532477) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
PubChem CID163532477
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCCC(=O)c1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C11H13NO2/c1-2-10(13)8-6-12-9-5-3-4-7(9)11(8)14/h6H,2-5H2,1H3,(H,12,14)
InChIKeyDUDPFBIVWVVDLR-UHFFFAOYSA-N
XLogP1.46
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (CID 163532477) is 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is CCC(=O)c1c[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The InChIKey is DUDPFBIVWVVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-10(13)8-6-12-9-5-3-4-7(9)11(8)14/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 163532477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).