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

C9H13NO — CID 158691785

IUPAC1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone
SMILESCCC1=C(C)C(C(C)=O)=NC1
InChIInChI=1S/C9H13NO/c1-4-8-5-10-9(6(8)2)7(3)11/h4-5H2,1-3H3
InChIKeyUPZACKDCAHVGQK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.76
Rot. Bonds2

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

1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone (PubChem CID 158691785) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone
PubChem CID158691785
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone
SMILESCCC1=C(C)C(C(C)=O)=NC1
InChIInChI=1S/C9H13NO/c1-4-8-5-10-9(6(8)2)7(3)11/h4-5H2,1-3H3
InChIKeyUPZACKDCAHVGQK-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-propan-2-ylidene-2H-pyrrol-3-one
CID 59887606
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
1-(3,5-dimethyl-2H-pyrrol-4-yl)ethanone
CID 97298650
1-(5-methyl-2-propyl-2H-pyrrol-4-yl)ethanone
CID 137467935
1-(4,5-dimethyl-2H-pyrrol-3-yl)ethanone
CID 174484478
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-(4-chloro-3-methyl-2H-pyrrol-5-yl)propan-1-one
CID 158639460
1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)propan-1-one
CID 158691786
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)ethanone?
The IUPAC name of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone (CID 158691785) is 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone is CCC1=C(C)C(C(C)=O)=NC1.
What is the InChIKey of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone?
The InChIKey is UPZACKDCAHVGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-8-5-10-9(6(8)2)7(3)11/h4-5H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone?
1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.76, 2 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)ethanone is sourced from PubChem (CID 158691785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).