1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one

C10H15NO — CID 63927676

IUPAC1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
SMILESCCC(=O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C10H15NO/c1-5-9(12)10-7(3)6(2)8(4)11-10/h11H,5H2,1-4H3
InChIKeyMCFDKNDYMCGAKM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.53
Rot. Bonds2

About 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one

1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one (PubChem CID 63927676) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
PubChem CID63927676
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
SMILESCCC(=O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C10H15NO/c1-5-9(12)10-7(3)6(2)8(4)11-10/h11H,5H2,1-4H3
InChIKeyMCFDKNDYMCGAKM-UHFFFAOYSA-N
XLogP2.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one (CID 63927676) is 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one is CCC(=O)c1[nH]c(C)c(C)c1C.
What is the InChIKey of 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is MCFDKNDYMCGAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9(12)10-7(3)6(2)8(4)11-10/h11H,5H2,1-4H3.
What are the key properties of 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one?
1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 63927676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).