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

C8H11NO — CID 157315173

IUPAC2-methyl-1-(2H-pyrrol-3-yl)propan-1-one
SMILESCC(C)C(=O)C1=CC=NC1
InChIInChI=1S/C8H11NO/c1-6(2)8(10)7-3-4-9-5-7/h3-4,6H,5H2,1-2H3
InChIKeyGYFVGADRDZVBDH-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.22
Rot. Bonds2

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

2-methyl-1-(2H-pyrrol-3-yl)propan-1-one (PubChem CID 157315173) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2H-pyrrol-3-yl)propan-1-one
PubChem CID157315173
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-methyl-1-(2H-pyrrol-3-yl)propan-1-one
SMILESCC(C)C(=O)C1=CC=NC1
InChIInChI=1S/C8H11NO/c1-6(2)8(10)7-3-4-9-5-7/h3-4,6H,5H2,1-2H3
InChIKeyGYFVGADRDZVBDH-UHFFFAOYSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methyl-2H-pyrrol-3-yl)propan-1-one
CID 57789310
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1-(2H-pyrrol-3-yl)ethanone
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1-(5,5-Dimethylpyrrol-3-yl)-2-methylpropan-1-one
CID 70256373
1-(2,5-Dihydropyridin-3-yl)propan-1-one
CID 90977726
2-methyl-1-(2H-pyrrol-4-yl)propan-1-one
CID 134572821
3-(2-Methylpropyl)pyrrol-2-one
CID 141393042
(E)-4-ethenyl-2-methyl-6-methyliminohex-4-en-3-one
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1-(2,4-dimethyl-3,4-dihydro-2H-azepin-6-yl)ethanone
CID 144788866
4-propan-2-yl-2H-pyridin-3-one
CID 165380188
1-(2H-azepin-3-yl)propan-1-one
CID 175692965
ethane;3-methylhexane;1-(2-methyl-2H-pyrrol-3-yl)ethanone
CID 177053586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one (CID 157315173) is 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one is CC(C)C(=O)C1=CC=NC1.
What is the InChIKey of 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one?
The InChIKey is GYFVGADRDZVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)8(10)7-3-4-9-5-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one?
2-methyl-1-(2H-pyrrol-3-yl)propan-1-one has a molecular weight of 137.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-pyrrol-3-yl)propan-1-one is sourced from PubChem (CID 157315173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).