2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

C11H17NO — CID 24747264

IUPAC2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCCC2)CCC1=O
InChIInChI=1S/C11H17NO/c1-9-10(5-6-11(9)13)12-7-3-2-4-8-12/h2-8H2,1H3
InChIKeyRDTLAVNFLHHFKT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds1

About 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one (PubChem CID 24747264) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
PubChem CID24747264
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCCC2)CCC1=O
InChIInChI=1S/C11H17NO/c1-9-10(5-6-11(9)13)12-7-3-2-4-8-12/h2-8H2,1H3
InChIKeyRDTLAVNFLHHFKT-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one (CID 24747264) is 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one is CC1=C(N2CCCCC2)CCC1=O.
What is the InChIKey of 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The InChIKey is RDTLAVNFLHHFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-10(5-6-11(9)13)12-7-3-2-4-8-12/h2-8H2,1H3.
What are the key properties of 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 24747264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).