4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one

C17H14N6O — CID 168658182

IUPAC4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2cc3cccnc3c3ncccc23)C1
InChIInChI=1S/C17H14N6O/c18-22-21-9-11-7-15(24)23(10-11)14-8-12-3-1-5-19-16(12)17-13(14)4-2-6-20-17/h1-6,8,11H,7,9-10H2
InChIKeyCENMZGNAPQDYCC-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.45
Rot. Bonds3

About 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one (PubChem CID 168658182) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
PubChem CID168658182
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2cc3cccnc3c3ncccc23)C1
InChIInChI=1S/C17H14N6O/c18-22-21-9-11-7-15(24)23(10-11)14-8-12-3-1-5-19-16(12)17-13(14)4-2-6-20-17/h1-6,8,11H,7,9-10H2
InChIKeyCENMZGNAPQDYCC-UHFFFAOYSA-N
XLogP3.45
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168658114
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-(4-bromoisoquinolin-1-yl)pyrrolidin-2-one
CID 168657621

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one (CID 168658182) is 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2cc3cccnc3c3ncccc23)C1.
What is the InChIKey of 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
The InChIKey is CENMZGNAPQDYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-22-21-9-11-7-15(24)23(10-11)14-8-12-3-1-5-19-16(12)17-13(14)4-2-6-20-17/h1-6,8,11H,7,9-10H2.
What are the key properties of 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one has a molecular weight of 318.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168658182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).