3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one

C11H15NO — CID 83529755

IUPAC3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one
SMILESCc1cc(C2CCC(=O)C2)c(C)[nH]1
InChIInChI=1S/C11H15NO/c1-7-5-11(8(2)12-7)9-3-4-10(13)6-9/h5,9,12H,3-4,6H2,1-2H3
InChIKeyKANMEZXKQRJBGI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.47
Rot. Bonds1

About 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one

3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one (PubChem CID 83529755) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one
PubChem CID83529755
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one
SMILESCc1cc(C2CCC(=O)C2)c(C)[nH]1
InChIInChI=1S/C11H15NO/c1-7-5-11(8(2)12-7)9-3-4-10(13)6-9/h5,9,12H,3-4,6H2,1-2H3
InChIKeyKANMEZXKQRJBGI-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one?
The IUPAC name of 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one (CID 83529755) is 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one?
The canonical SMILES for 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one is Cc1cc(C2CCC(=O)C2)c(C)[nH]1.
What is the InChIKey of 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one?
The InChIKey is KANMEZXKQRJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-5-11(8(2)12-7)9-3-4-10(13)6-9/h5,9,12H,3-4,6H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one?
3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1H-pyrrol-3-yl)cyclopentan-1-one is sourced from PubChem (CID 83529755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).