cyclopropyl-(2-ethylpyrrol-2-yl)methanone

C10H13NO — CID 91177232

IUPACcyclopropyl-(2-ethylpyrrol-2-yl)methanone
SMILESCCC1(C(=O)C2CC2)C=CC=N1
InChIInChI=1S/C10H13NO/c1-2-10(6-3-7-11-10)9(12)8-4-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyJQNZLVGTNZRFFC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds3

About cyclopropyl-(2-ethylpyrrol-2-yl)methanone

cyclopropyl-(2-ethylpyrrol-2-yl)methanone (PubChem CID 91177232) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is cyclopropyl-(2-ethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-ethylpyrrol-2-yl)methanone
PubChem CID91177232
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namecyclopropyl-(2-ethylpyrrol-2-yl)methanone
SMILESCCC1(C(=O)C2CC2)C=CC=N1
InChIInChI=1S/C10H13NO/c1-2-10(6-3-7-11-10)9(12)8-4-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyJQNZLVGTNZRFFC-UHFFFAOYSA-N
XLogP1.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-ethylpyrrol-2-yl)methanone?
The IUPAC name of cyclopropyl-(2-ethylpyrrol-2-yl)methanone (CID 91177232) is cyclopropyl-(2-ethylpyrrol-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-ethylpyrrol-2-yl)methanone?
The canonical SMILES for cyclopropyl-(2-ethylpyrrol-2-yl)methanone is CCC1(C(=O)C2CC2)C=CC=N1.
What is the InChIKey of cyclopropyl-(2-ethylpyrrol-2-yl)methanone?
The InChIKey is JQNZLVGTNZRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-10(6-3-7-11-10)9(12)8-4-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of cyclopropyl-(2-ethylpyrrol-2-yl)methanone?
cyclopropyl-(2-ethylpyrrol-2-yl)methanone has a molecular weight of 163.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-ethylpyrrol-2-yl)methanone is sourced from PubChem (CID 91177232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).