1-(1-tert-butylpyrrol-3-yl)ethanone

C10H15NO — CID 15112382

IUPAC1-(1-tert-butylpyrrol-3-yl)ethanone
SMILESCC(=O)c1ccn(C(C)(C)C)c1
InChIInChI=1S/C10H15NO/c1-8(12)9-5-6-11(7-9)10(2,3)4/h5-7H,1-4H3
InChIKeyHXSNUBYUKDVPPI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.45
Rot. Bonds1

About 1-(1-tert-butylpyrrol-3-yl)ethanone

1-(1-tert-butylpyrrol-3-yl)ethanone (PubChem CID 15112382) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1-tert-butylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-tert-butylpyrrol-3-yl)ethanone
PubChem CID15112382
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(1-tert-butylpyrrol-3-yl)ethanone
SMILESCC(=O)c1ccn(C(C)(C)C)c1
InChIInChI=1S/C10H15NO/c1-8(12)9-5-6-11(7-9)10(2,3)4/h5-7H,1-4H3
InChIKeyHXSNUBYUKDVPPI-UHFFFAOYSA-N
XLogP2.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(1-tert-butylpyrrol-3-yl)ethanone (CID 15112382) is 1-(1-tert-butylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(1-tert-butylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(1-tert-butylpyrrol-3-yl)ethanone is CC(=O)c1ccn(C(C)(C)C)c1.
What is the InChIKey of 1-(1-tert-butylpyrrol-3-yl)ethanone?
The InChIKey is HXSNUBYUKDVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(12)9-5-6-11(7-9)10(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-(1-tert-butylpyrrol-3-yl)ethanone?
1-(1-tert-butylpyrrol-3-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrrol-3-yl)ethanone is sourced from PubChem (CID 15112382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).