Tetrahydro 2h phenanthridin

C13H15N — CID 21749136

IUPAC1,2,3,4,4a,5-hexahydrophenanthridine
SMILESC1CCC2=C3C=CC=CC3=CNC2C1
InChIInChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,9,13-14H,3-4,7-8H2
InChIKeyOPXQOTUWFKHYCC-UHFFFAOYSA-N
MW185.26 g/mol
LogP2.40
Rot. Bonds

About Tetrahydro 2h phenanthridin

Tetrahydro 2h phenanthridin (PubChem CID 21749136) has the molecular formula C13H15N and a molecular weight of 185.26 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrophenanthridine.

Molecular Properties

Compound NameTetrahydro 2h phenanthridin
PubChem CID21749136
Molecular FormulaC13H15N
Molecular Weight185.26 g/mol
Exact Mass185.12
IUPAC Name1,2,3,4,4a,5-hexahydrophenanthridine
SMILESC1CCC2=C3C=CC=CC3=CNC2C1
InChIInChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,9,13-14H,3-4,7-8H2
InChIKeyOPXQOTUWFKHYCC-UHFFFAOYSA-N
XLogP2.40
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity369

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzocycloheptapyridine
CID 87079834
8-Hexahydroquinoline
CID 20226183
Octahydrophenanthridine
CID 21749135
10,13,14-Octahydrophenanthridine
CID 21863971
1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
1,2,3,4,4a,5,10,10a-Octahydroacridine
CID 23065677
1,2,5,6,7,8-Hexahydroquinoline
CID 53784000
Decahydroacridine
CID 53901762
2,3,5,6,7,8-Hexahydroisoquinoline
CID 66842631
9-Aminooctahydroacridine
CID 69538366
Hexahydrobenzo[f]quinoline
CID 88521331
7,8-Hexahydro-2-quinolone
CID 129792648

Frequently Asked Questions

What is the IUPAC name of Tetrahydro 2h phenanthridin?
The IUPAC name of Tetrahydro 2h phenanthridin (CID 21749136) is 1,2,3,4,4a,5-hexahydrophenanthridine.
What is the SMILES notation for Tetrahydro 2h phenanthridin?
The canonical SMILES for Tetrahydro 2h phenanthridin is C1CCC2=C3C=CC=CC3=CNC2C1.
What is the InChIKey of Tetrahydro 2h phenanthridin?
The InChIKey is OPXQOTUWFKHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,9,13-14H,3-4,7-8H2.
What are the key properties of Tetrahydro 2h phenanthridin?
Tetrahydro 2h phenanthridin has a molecular weight of 185.26 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Tetrahydro 2h phenanthridin is sourced from PubChem (CID 21749136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).