cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone

C11H15NO — CID 82490597

IUPACcyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
SMILESCc1cc(C(=O)C2CCC2)c(C)[nH]1
InChIInChI=1S/C11H15NO/c1-7-6-10(8(2)12-7)11(13)9-4-3-5-9/h6,9,12H,3-5H2,1-2H3
InChIKeyXVPNBZDELQELPH-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.61
Rot. Bonds2

About cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone

cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone (PubChem CID 82490597) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
PubChem CID82490597
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namecyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
SMILESCc1cc(C(=O)C2CCC2)c(C)[nH]1
InChIInChI=1S/C11H15NO/c1-7-6-10(8(2)12-7)11(13)9-4-3-5-9/h6,9,12H,3-5H2,1-2H3
InChIKeyXVPNBZDELQELPH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone (CID 82490597) is cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone is Cc1cc(C(=O)C2CCC2)c(C)[nH]1.
What is the InChIKey of cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
The InChIKey is XVPNBZDELQELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-6-10(8(2)12-7)11(13)9-4-3-5-9/h6,9,12H,3-5H2,1-2H3.
What are the key properties of cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone has a molecular weight of 177.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 82490597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).