1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline

C12H14N2 — CID 89493066

IUPAC1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline
SMILESC1=CC2C=CC3=CCCN=C3C2NC1
InChIInChI=1S/C12H14N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1,3-6,9,11,13H,2,7-8H2
InChIKeyNFBATTOLJPQDQG-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.47
Rot. Bonds

About 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline

1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline (PubChem CID 89493066) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline.

Molecular Properties

Compound Name1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline
PubChem CID89493066
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline
SMILESC1=CC2C=CC3=CCCN=C3C2NC1
InChIInChI=1S/C12H14N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1,3-6,9,11,13H,2,7-8H2
InChIKeyNFBATTOLJPQDQG-UHFFFAOYSA-N
XLogP1.47
TPSA24.39 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline?
The IUPAC name of 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline (CID 89493066) is 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline.
What is the SMILES notation for 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline?
The canonical SMILES for 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline is C1=CC2C=CC3=CCCN=C3C2NC1.
What is the InChIKey of 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline?
The InChIKey is NFBATTOLJPQDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1,3-6,9,11,13H,2,7-8H2.
What are the key properties of 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline?
1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline has a molecular weight of 186.26 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,8,9,10b-hexahydro-1,10-phenanthroline is sourced from PubChem (CID 89493066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).