2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one

C11H17NO — CID 168980214

IUPAC2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one
SMILESCCCC1C=CC(C(=O)C(C)C)=N1
InChIInChI=1S/C11H17NO/c1-4-5-9-6-7-10(12-9)11(13)8(2)3/h6-9H,4-5H2,1-3H3
InChIKeyXFJIGJBDTNJURM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one

2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one (PubChem CID 168980214) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one
PubChem CID168980214
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one
SMILESCCCC1C=CC(C(=O)C(C)C)=N1
InChIInChI=1S/C11H17NO/c1-4-5-9-6-7-10(12-9)11(13)8(2)3/h6-9H,4-5H2,1-3H3
InChIKeyXFJIGJBDTNJURM-UHFFFAOYSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one (CID 168980214) is 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one is CCCC1C=CC(C(=O)C(C)C)=N1.
What is the InChIKey of 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one?
The InChIKey is XFJIGJBDTNJURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-9-6-7-10(12-9)11(13)8(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one?
2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propyl-2H-pyrrol-5-yl)propan-1-one is sourced from PubChem (CID 168980214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).