2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride

C15H14ClN3 — CID 154791527

IUPAC2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
SMILESCl.c1cnc2c(c1)ccc1ccc(C3CNC3)nc12
InChIInChI=1S/C15H13N3.ClH/c1-2-10-3-4-11-5-6-13(12-8-16-9-12)18-15(11)14(10)17-7-1;/h1-7,12,16H,8-9H2;1H
InChIKeyGVLDRNOCKGYWIA-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.89
Rot. Bonds1

About 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride

2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride (PubChem CID 154791527) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
PubChem CID154791527
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
SMILESCl.c1cnc2c(c1)ccc1ccc(C3CNC3)nc12
InChIInChI=1S/C15H13N3.ClH/c1-2-10-3-4-11-5-6-13(12-8-16-9-12)18-15(11)14(10)17-7-1;/h1-7,12,16H,8-9H2;1H
InChIKeyGVLDRNOCKGYWIA-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)quinoline;dihydrochloride
CID 71302282
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
CID 124702274
2-[4,5-bis(trifluoromethyl)-2,3-dihydro-1H-imidazol-2-yl]-1,10-phenanthroline
CID 131966789
2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,10-phenanthroline
CID 171054646

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride (CID 154791527) is 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride is Cl.c1cnc2c(c1)ccc1ccc(C3CNC3)nc12.
What is the InChIKey of 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride?
The InChIKey is GVLDRNOCKGYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3.ClH/c1-2-10-3-4-11-5-6-13(12-8-16-9-12)18-15(11)14(10)17-7-1;/h1-7,12,16H,8-9H2;1H.
What are the key properties of 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride?
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride is sourced from PubChem (CID 154791527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).