cyclohexyl(1H-pyrrol-2-yl)methanone

C11H15NO — CID 13432026

IUPACcyclohexyl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)C1CCCCC1
InChIInChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h4,7-9,12H,1-3,5-6H2
InChIKeyCNJQALBVIHWGTB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.78
Rot. Bonds2

About cyclohexyl(1H-pyrrol-2-yl)methanone

cyclohexyl(1H-pyrrol-2-yl)methanone (PubChem CID 13432026) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is cyclohexyl(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(1H-pyrrol-2-yl)methanone
PubChem CID13432026
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namecyclohexyl(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)C1CCCCC1
InChIInChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h4,7-9,12H,1-3,5-6H2
InChIKeyCNJQALBVIHWGTB-UHFFFAOYSA-N
XLogP2.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1H-pyrrol-2-yl)methanone?
The IUPAC name of cyclohexyl(1H-pyrrol-2-yl)methanone (CID 13432026) is cyclohexyl(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for cyclohexyl(1H-pyrrol-2-yl)methanone?
The canonical SMILES for cyclohexyl(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)C1CCCCC1.
What is the InChIKey of cyclohexyl(1H-pyrrol-2-yl)methanone?
The InChIKey is CNJQALBVIHWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h4,7-9,12H,1-3,5-6H2.
What are the key properties of cyclohexyl(1H-pyrrol-2-yl)methanone?
cyclohexyl(1H-pyrrol-2-yl)methanone has a molecular weight of 177.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 13432026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).