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

C8H11NO — CID 11521083

IUPAC2-methyl-1-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C8H11NO/c1-6(2)8(10)7-4-3-5-9-7/h3-6,9H,1-2H3
InChIKeyVXSFYXBPGVRRPT-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.85
Rot. Bonds2

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

2-methyl-1-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 11521083) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrrol-2-yl)propan-1-one
PubChem CID11521083
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-methyl-1-(1H-pyrrol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc[nH]1
InChIInChI=1S/C8H11NO/c1-6(2)8(10)7-4-3-5-9-7/h3-6,9H,1-2H3
InChIKeyVXSFYXBPGVRRPT-UHFFFAOYSA-N
XLogP1.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one (CID 11521083) is 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one is CC(C)C(=O)c1ccc[nH]1.
What is the InChIKey of 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is VXSFYXBPGVRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)8(10)7-4-3-5-9-7/h3-6,9H,1-2H3.
What are the key properties of 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one?
2-methyl-1-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 137.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 11521083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).