1-(1H-pyrrol-2-yl)pentan-1-one

C9H13NO — CID 23273465

IUPAC1-(1H-pyrrol-2-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc[nH]1
InChIInChI=1S/C9H13NO/c1-2-3-6-9(11)8-5-4-7-10-8/h4-5,7,10H,2-3,6H2,1H3
InChIKeyIRXNKMCSSKWAHL-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.39
Rot. Bonds4

About 1-(1H-pyrrol-2-yl)pentan-1-one

1-(1H-pyrrol-2-yl)pentan-1-one (PubChem CID 23273465) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)pentan-1-one
PubChem CID23273465
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(1H-pyrrol-2-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc[nH]1
InChIInChI=1S/C9H13NO/c1-2-3-6-9(11)8-5-4-7-10-8/h4-5,7,10H,2-3,6H2,1H3
InChIKeyIRXNKMCSSKWAHL-UHFFFAOYSA-N
XLogP2.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)pentan-1-one?
The IUPAC name of 1-(1H-pyrrol-2-yl)pentan-1-one (CID 23273465) is 1-(1H-pyrrol-2-yl)pentan-1-one.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)pentan-1-one?
The canonical SMILES for 1-(1H-pyrrol-2-yl)pentan-1-one is CCCCC(=O)c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)pentan-1-one?
The InChIKey is IRXNKMCSSKWAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-6-9(11)8-5-4-7-10-8/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 1-(1H-pyrrol-2-yl)pentan-1-one?
1-(1H-pyrrol-2-yl)pentan-1-one has a molecular weight of 151.21 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)pentan-1-one is sourced from PubChem (CID 23273465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).