1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone

C10H15NO — CID 15112380

IUPAC1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CC(C)C)c1
InChIInChI=1S/C10H15NO/c1-8(2)6-11-5-4-10(7-11)9(3)12/h4-5,7-8H,6H2,1-3H3
InChIKeyFGFYNEXRFFGWIN-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.35
Rot. Bonds3

About 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone

1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone (PubChem CID 15112380) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone
PubChem CID15112380
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CC(C)C)c1
InChIInChI=1S/C10H15NO/c1-8(2)6-11-5-4-10(7-11)9(3)12/h4-5,7-8H,6H2,1-3H3
InChIKeyFGFYNEXRFFGWIN-UHFFFAOYSA-N
XLogP2.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone (CID 15112380) is 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone is CC(=O)c1ccn(CC(C)C)c1.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone?
The InChIKey is FGFYNEXRFFGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)6-11-5-4-10(7-11)9(3)12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone?
1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 15112380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).