1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one

C22H25N3O — CID 139700119

IUPAC1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCc1cc2cccnc2c2ncccc12
InChIInChI=1S/C22H25N3O/c26-20-11-7-15-25(20)14-4-2-1-3-8-17-16-18-9-5-12-23-21(18)22-19(17)10-6-13-24-22/h5-6,9-10,12-13,16H,1-4,7-8,11,14-15H2
InChIKeyRMVIZXRQPGIPND-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.51
Rot. Bonds7

About 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one

1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one (PubChem CID 139700119) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one
PubChem CID139700119
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCc1cc2cccnc2c2ncccc12
InChIInChI=1S/C22H25N3O/c26-20-11-7-15-25(20)14-4-2-1-3-8-17-16-18-9-5-12-23-21(18)22-19(17)10-6-13-24-22/h5-6,9-10,12-13,16H,1-4,7-8,11,14-15H2
InChIKeyRMVIZXRQPGIPND-UHFFFAOYSA-N
XLogP4.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one (CID 139700119) is 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one is O=C1CCCN1CCCCCCc1cc2cccnc2c2ncccc12.
What is the InChIKey of 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one?
The InChIKey is RMVIZXRQPGIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-20-11-7-15-25(20)14-4-2-1-3-8-17-16-18-9-5-12-23-21(18)22-19(17)10-6-13-24-22/h5-6,9-10,12-13,16H,1-4,7-8,11,14-15H2.
What are the key properties of 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one?
1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,10-phenanthrolin-5-yl)hexyl]pyrrolidin-2-one is sourced from PubChem (CID 139700119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).