1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone

C9H12ClNO — CID 84660360

IUPAC1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone
SMILESCC(=O)c1c(C)c(Cl)n(C)c1C
InChIInChI=1S/C9H12ClNO/c1-5-8(7(3)12)6(2)11(4)9(5)10/h1-4H3
InChIKeyMJPVPCTWFZKLEF-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.50
Rot. Bonds1

About 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone

1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone (PubChem CID 84660360) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone
PubChem CID84660360
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone
SMILESCC(=O)c1c(C)c(Cl)n(C)c1C
InChIInChI=1S/C9H12ClNO/c1-5-8(7(3)12)6(2)11(4)9(5)10/h1-4H3
InChIKeyMJPVPCTWFZKLEF-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-benzoyl-1,2,4-trimethylpyrrol-3-yl)ethanone
CID 18719873
1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 82499395
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
3-acetyl-1,2,5,6-tetramethylindole-4,7-dione
CID 101445822
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
2-acetyl-3-methylcycloprop-2-en-1-one
CID 164818342
3-acetyl-1,2-dimethylindole-4-carboxylic acid
CID 83947145
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
4-(1,2,4,5,6,7-hexamethylindol-3-yl)-4-hydroxybut-3-en-2-one
CID 72612053
1-(1,2-dimethyl-4-nitro-5-phenylpyrrol-3-yl)ethanone
CID 14616642

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone (CID 84660360) is 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone is CC(=O)c1c(C)c(Cl)n(C)c1C.
What is the InChIKey of 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone?
The InChIKey is MJPVPCTWFZKLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-5-8(7(3)12)6(2)11(4)9(5)10/h1-4H3.
What are the key properties of 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone?
1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone has a molecular weight of 185.65 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,2,4-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 84660360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).