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

C10H15NO — CID 170135844

IUPAC2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one
SMILESCc1cc[nH]c1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NO/c1-7-5-6-11-8(7)9(12)10(2,3)4/h5-6,11H,1-4H3
InChIKeyVYASGZXIBOWQMP-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.55
Rot. Bonds1

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

2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one (PubChem CID 170135844) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one
PubChem CID170135844
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one
SMILESCc1cc[nH]c1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NO/c1-7-5-6-11-8(7)9(12)10(2,3)4/h5-6,11H,1-4H3
InChIKeyVYASGZXIBOWQMP-UHFFFAOYSA-N
XLogP2.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one (CID 170135844) is 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one is Cc1cc[nH]c1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is VYASGZXIBOWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-5-6-11-8(7)9(12)10(2,3)4/h5-6,11H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one?
2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 170135844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).