1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one

C13H23NO — CID 57166444

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1C=CCN1
InChIInChI=1S/C13H23NO/c1-2-3-4-5-6-7-10-13(15)12-9-8-11-14-12/h8-9,12,14H,2-7,10-11H2,1H3
InChIKeyQNMCHKDXNQKIJH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.83
Rot. Bonds8

About 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one

1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one (PubChem CID 57166444) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one
PubChem CID57166444
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1C=CCN1
InChIInChI=1S/C13H23NO/c1-2-3-4-5-6-7-10-13(15)12-9-8-11-14-12/h8-9,12,14H,2-7,10-11H2,1H3
InChIKeyQNMCHKDXNQKIJH-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one (CID 57166444) is 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one is CCCCCCCCC(=O)C1C=CCN1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one?
The InChIKey is QNMCHKDXNQKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-4-5-6-7-10-13(15)12-9-8-11-14-12/h8-9,12,14H,2-7,10-11H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one?
1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one is sourced from PubChem (CID 57166444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).