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

C17H16N4O — CID 168661050

IUPAC4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc3cccnc3c3ncccc23)C1
InChIInChI=1S/C17H16N4O/c18-9-11-7-15(22)21(10-11)14-8-12-3-1-5-19-16(12)17-13(14)4-2-6-20-17/h1-6,8,11H,7,9-10,18H2
InChIKeyASUOJVXBBSXSJH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.09
Rot. Bonds2

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

4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one (PubChem CID 168661050) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
PubChem CID168661050
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc3cccnc3c3ncccc23)C1
InChIInChI=1S/C17H16N4O/c18-9-11-7-15(22)21(10-11)14-8-12-3-1-5-19-16(12)17-13(14)4-2-6-20-17/h1-6,8,11H,7,9-10,18H2
InChIKeyASUOJVXBBSXSJH-UHFFFAOYSA-N
XLogP2.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168658182
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-amino-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168699530
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
CID 168659858
4-(aminomethyl)-1-[4-chloro-2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168660632

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one (CID 168661050) is 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2cc3cccnc3c3ncccc23)C1.
What is the InChIKey of 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
The InChIKey is ASUOJVXBBSXSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-9-11-7-15(22)21(10-11)14-8-12-3-1-5-19-16(12)17-13(14)4-2-6-20-17/h1-6,8,11H,7,9-10,18H2.
What are the key properties of 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).