1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one

C10H15NO — CID 158691786

IUPAC1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one
SMILESCCC(=O)C1=NCC(CC)=C1C
InChIInChI=1S/C10H15NO/c1-4-8-6-11-10(7(8)3)9(12)5-2/h4-6H2,1-3H3
InChIKeyPAWBSGJTIDYQGD-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.15
Rot. Bonds3

About 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one

1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one (PubChem CID 158691786) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one
PubChem CID158691786
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one
SMILESCCC(=O)C1=NCC(CC)=C1C
InChIInChI=1S/C10H15NO/c1-4-8-6-11-10(7(8)3)9(12)5-2/h4-6H2,1-3H3
InChIKeyPAWBSGJTIDYQGD-UHFFFAOYSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
1-(5-methyl-2-propyl-2H-pyrrol-4-yl)ethanone
CID 137467935
1-(2-ethyl-4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174508740
1-(3-methyl-2H-pyrrol-5-yl)propan-1-one
CID 158639459
1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone
CID 158691785
1-(3-methyl-2H-pyrrol-5-yl)butan-2-one
CID 160161871

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one?
The IUPAC name of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one (CID 158691786) is 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one is CCC(=O)C1=NCC(CC)=C1C.
What is the InChIKey of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one?
The InChIKey is PAWBSGJTIDYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-6-11-10(7(8)3)9(12)5-2/h4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one?
1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one is sourced from PubChem (CID 158691786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).