1-(1-propylpyrrol-3-yl)ethanone

C9H13NO — CID 15439782

IUPAC1-(1-propylpyrrol-3-yl)ethanone
SMILESCCCn1ccc(C(C)=O)c1
InChIInChI=1S/C9H13NO/c1-3-5-10-6-4-9(7-10)8(2)11/h4,6-7H,3,5H2,1-2H3
InChIKeyATFMBEIQFQIYDK-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.10
Rot. Bonds3

About 1-(1-propylpyrrol-3-yl)ethanone

1-(1-propylpyrrol-3-yl)ethanone (PubChem CID 15439782) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(1-propylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-propylpyrrol-3-yl)ethanone
PubChem CID15439782
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(1-propylpyrrol-3-yl)ethanone
SMILESCCCn1ccc(C(C)=O)c1
InChIInChI=1S/C9H13NO/c1-3-5-10-6-4-9(7-10)8(2)11/h4,6-7H,3,5H2,1-2H3
InChIKeyATFMBEIQFQIYDK-UHFFFAOYSA-N
XLogP2.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrol-3-yl)ethanone?
The IUPAC name of 1-(1-propylpyrrol-3-yl)ethanone (CID 15439782) is 1-(1-propylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(1-propylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-(1-propylpyrrol-3-yl)ethanone is CCCn1ccc(C(C)=O)c1.
What is the InChIKey of 1-(1-propylpyrrol-3-yl)ethanone?
The InChIKey is ATFMBEIQFQIYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-10-6-4-9(7-10)8(2)11/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1-(1-propylpyrrol-3-yl)ethanone?
1-(1-propylpyrrol-3-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrol-3-yl)ethanone is sourced from PubChem (CID 15439782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).