1-(1H-pyrrol-3-yl)hexan-1-one

C10H15NO — CID 10997396

IUPAC1-(1H-pyrrol-3-yl)hexan-1-one
SMILESCCCCCC(=O)c1cc[nH]c1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-10(12)9-6-7-11-8-9/h6-8,11H,2-5H2,1H3
InChIKeyRMKRBZVVYARARO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.78
Rot. Bonds5

About 1-(1H-pyrrol-3-yl)hexan-1-one

1-(1H-pyrrol-3-yl)hexan-1-one (PubChem CID 10997396) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)hexan-1-one.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)hexan-1-one
PubChem CID10997396
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(1H-pyrrol-3-yl)hexan-1-one
SMILESCCCCCC(=O)c1cc[nH]c1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-10(12)9-6-7-11-8-9/h6-8,11H,2-5H2,1H3
InChIKeyRMKRBZVVYARARO-UHFFFAOYSA-N
XLogP2.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)hexan-1-one?
The IUPAC name of 1-(1H-pyrrol-3-yl)hexan-1-one (CID 10997396) is 1-(1H-pyrrol-3-yl)hexan-1-one.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)hexan-1-one?
The canonical SMILES for 1-(1H-pyrrol-3-yl)hexan-1-one is CCCCCC(=O)c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)hexan-1-one?
The InChIKey is RMKRBZVVYARARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-10(12)9-6-7-11-8-9/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-(1H-pyrrol-3-yl)hexan-1-one?
1-(1H-pyrrol-3-yl)hexan-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)hexan-1-one is sourced from PubChem (CID 10997396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).