1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one

C12H19NO — CID 23273231

IUPAC1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCCC(C)N1CCC(=O)C2=C1CCC2
InChIInChI=1S/C12H19NO/c1-3-9(2)13-8-7-12(14)10-5-4-6-11(10)13/h9H,3-8H2,1-2H3
InChIKeyNDQNDTFPDVMNAD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds2

About 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one

1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one (PubChem CID 23273231) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one
PubChem CID23273231
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one
SMILESCCC(C)N1CCC(=O)C2=C1CCC2
InChIInChI=1S/C12H19NO/c1-3-9(2)13-8-7-12(14)10-5-4-6-11(10)13/h9H,3-8H2,1-2H3
InChIKeyNDQNDTFPDVMNAD-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one?
The IUPAC name of 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one (CID 23273231) is 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one is CCC(C)N1CCC(=O)C2=C1CCC2.
What is the InChIKey of 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one?
The InChIKey is NDQNDTFPDVMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9(2)13-8-7-12(14)10-5-4-6-11(10)13/h9H,3-8H2,1-2H3.
What are the key properties of 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one?
1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one has a molecular weight of 193.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 23273231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).