1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone

C10H15NO — CID 174508740

IUPAC1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone
SMILESCCC1N=C(C)C(C)=C1C(C)=O
InChIInChI=1S/C10H15NO/c1-5-9-10(8(4)12)6(2)7(3)11-9/h9H,5H2,1-4H3
InChIKeyCUAUTLDPBVWPGH-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.14
Rot. Bonds2

About 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone

1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone (PubChem CID 174508740) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone
PubChem CID174508740
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone
SMILESCCC1N=C(C)C(C)=C1C(C)=O
InChIInChI=1S/C10H15NO/c1-5-9-10(8(4)12)6(2)7(3)11-9/h9H,5H2,1-4H3
InChIKeyCUAUTLDPBVWPGH-UHFFFAOYSA-N
XLogP2.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone (CID 174508740) is 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone is CCC1N=C(C)C(C)=C1C(C)=O.
What is the InChIKey of 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone?
The InChIKey is CUAUTLDPBVWPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9-10(8(4)12)6(2)7(3)11-9/h9H,5H2,1-4H3.
What are the key properties of 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone?
1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 174508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).