1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one

C10H15NO — CID 70256373

IUPAC1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=CC(C)(C)N=C1
InChIInChI=1S/C10H15NO/c1-7(2)9(12)8-5-10(3,4)11-6-8/h5-7H,1-4H3
InChIKeyAYLSFNHCQHUKSQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.00
Rot. Bonds2

About 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one

1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one (PubChem CID 70256373) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one
PubChem CID70256373
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=CC(C)(C)N=C1
InChIInChI=1S/C10H15NO/c1-7(2)9(12)8-5-10(3,4)11-6-8/h5-7H,1-4H3
InChIKeyAYLSFNHCQHUKSQ-UHFFFAOYSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one (CID 70256373) is 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one is CC(C)C(=O)C1=CC(C)(C)N=C1.
What is the InChIKey of 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one?
The InChIKey is AYLSFNHCQHUKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)9(12)8-5-10(3,4)11-6-8/h5-7H,1-4H3.
What are the key properties of 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one?
1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylpyrrol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 70256373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).