1,2,3,4,4a,5-hexahydro-2,7-phenanthroline

C12H14N2 — CID 68774632

IUPAC1,2,3,4,4a,5-hexahydro-2,7-phenanthroline
SMILESC1=c2ncccc2=C2CNCCC2C1
InChIInChI=1S/C12H14N2/c1-2-10-11-8-13-7-5-9(11)3-4-12(10)14-6-1/h1-2,4,6,9,13H,3,5,7-8H2
InChIKeyUHOZZIOEYBKQKJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.03
Rot. Bonds

About 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline

1,2,3,4,4a,5-hexahydro-2,7-phenanthroline (PubChem CID 68774632) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydro-2,7-phenanthroline
PubChem CID68774632
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,3,4,4a,5-hexahydro-2,7-phenanthroline
SMILESC1=c2ncccc2=C2CNCCC2C1
InChIInChI=1S/C12H14N2/c1-2-10-11-8-13-7-5-9(11)3-4-12(10)14-6-1/h1-2,4,6,9,13H,3,5,7-8H2
InChIKeyUHOZZIOEYBKQKJ-UHFFFAOYSA-N
XLogP0.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline?
The IUPAC name of 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline (CID 68774632) is 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline?
The canonical SMILES for 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline is C1=c2ncccc2=C2CNCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline?
The InChIKey is UHOZZIOEYBKQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-10-11-8-13-7-5-9(11)3-4-12(10)14-6-1/h1-2,4,6,9,13H,3,5,7-8H2.
What are the key properties of 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline?
1,2,3,4,4a,5-hexahydro-2,7-phenanthroline has a molecular weight of 186.26 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydro-2,7-phenanthroline is sourced from PubChem (CID 68774632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).