1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone

C13H15NO — CID 143621014

IUPAC1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone
SMILESC=C1CCCC1c1ccc(C(C)=O)cn1
InChIInChI=1S/C13H15NO/c1-9-4-3-5-12(9)13-7-6-11(8-14-13)10(2)15/h6-8,12H,1,3-5H2,2H3
InChIKeyBNRHQYRXTNRPDI-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.11
Rot. Bonds2

About 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone

1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone (PubChem CID 143621014) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone
PubChem CID143621014
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone
SMILESC=C1CCCC1c1ccc(C(C)=O)cn1
InChIInChI=1S/C13H15NO/c1-9-4-3-5-12(9)13-7-6-11(8-14-13)10(2)15/h6-8,12H,1,3-5H2,2H3
InChIKeyBNRHQYRXTNRPDI-UHFFFAOYSA-N
XLogP3.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone (CID 143621014) is 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone is C=C1CCCC1c1ccc(C(C)=O)cn1.
What is the InChIKey of 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone?
The InChIKey is BNRHQYRXTNRPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-4-3-5-12(9)13-7-6-11(8-14-13)10(2)15/h6-8,12H,1,3-5H2,2H3.
What are the key properties of 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone?
1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone has a molecular weight of 201.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylidenecyclopentyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 143621014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).