2-quinolin-5-ylcyclopentan-1-one

C14H13NO — CID 81223830

IUPAC2-quinolin-5-ylcyclopentan-1-one
SMILESO=C1CCCC1c1cccc2ncccc12
InChIInChI=1S/C14H13NO/c16-14-8-2-5-12(14)10-4-1-7-13-11(10)6-3-9-15-13/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeyUOJRBBNQBRKPQS-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.07
Rot. Bonds1

About 2-quinolin-5-ylcyclopentan-1-one

2-quinolin-5-ylcyclopentan-1-one (PubChem CID 81223830) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-quinolin-5-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-quinolin-5-ylcyclopentan-1-one
PubChem CID81223830
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-quinolin-5-ylcyclopentan-1-one
SMILESO=C1CCCC1c1cccc2ncccc12
InChIInChI=1S/C14H13NO/c16-14-8-2-5-12(14)10-4-1-7-13-11(10)6-3-9-15-13/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeyUOJRBBNQBRKPQS-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-ylcyclopentan-1-one?
The IUPAC name of 2-quinolin-5-ylcyclopentan-1-one (CID 81223830) is 2-quinolin-5-ylcyclopentan-1-one.
What is the SMILES notation for 2-quinolin-5-ylcyclopentan-1-one?
The canonical SMILES for 2-quinolin-5-ylcyclopentan-1-one is O=C1CCCC1c1cccc2ncccc12.
What is the InChIKey of 2-quinolin-5-ylcyclopentan-1-one?
The InChIKey is UOJRBBNQBRKPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-8-2-5-12(14)10-4-1-7-13-11(10)6-3-9-15-13/h1,3-4,6-7,9,12H,2,5,8H2.
What are the key properties of 2-quinolin-5-ylcyclopentan-1-one?
2-quinolin-5-ylcyclopentan-1-one has a molecular weight of 211.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-ylcyclopentan-1-one is sourced from PubChem (CID 81223830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).