1,2,6,7,10,10b-hexahydrophenanthridine

C13H15N — CID 57068546

IUPAC1,2,6,7,10,10b-hexahydrophenanthridine
SMILESC1=CC2=NCC3=C(CC=CC3)C2CC1
InChIInChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,4,8,12H,3,5-7,9H2
InChIKeyZKYVFGZIIXPIOB-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.05
Rot. Bonds

About 1,2,6,7,10,10b-hexahydrophenanthridine

1,2,6,7,10,10b-hexahydrophenanthridine (PubChem CID 57068546) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2,6,7,10,10b-hexahydrophenanthridine.

Molecular Properties

Compound Name1,2,6,7,10,10b-hexahydrophenanthridine
PubChem CID57068546
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,2,6,7,10,10b-hexahydrophenanthridine
SMILESC1=CC2=NCC3=C(CC=CC3)C2CC1
InChIInChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,4,8,12H,3,5-7,9H2
InChIKeyZKYVFGZIIXPIOB-UHFFFAOYSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
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3-Azatricyclo[5.2.2.02,6]undeca-2,5,8-triene
CID 12134565
2,3,4,4a-Tetrahydroquinoline
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1,2,9a,10a-Tetrahydroacridine
CID 54486130
3,3a,4,6a,9,9b-hexahydro-2H-benzo[de]quinoline
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2,3,4,4a,5,8-Hexahydroquinoline
CID 57072516
5,6-Bis(2,5-dihydropyridin-6-yl)-2,5-dihydropyridine
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3,4,6,6a-Tetrahydrophenanthridine
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Frequently Asked Questions

What is the IUPAC name of 1,2,6,7,10,10b-hexahydrophenanthridine?
The IUPAC name of 1,2,6,7,10,10b-hexahydrophenanthridine (CID 57068546) is 1,2,6,7,10,10b-hexahydrophenanthridine.
What is the SMILES notation for 1,2,6,7,10,10b-hexahydrophenanthridine?
The canonical SMILES for 1,2,6,7,10,10b-hexahydrophenanthridine is C1=CC2=NCC3=C(CC=CC3)C2CC1.
What is the InChIKey of 1,2,6,7,10,10b-hexahydrophenanthridine?
The InChIKey is ZKYVFGZIIXPIOB-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/h1-2,4,8,12H,3,5-7,9H2.
What are the key properties of 1,2,6,7,10,10b-hexahydrophenanthridine?
1,2,6,7,10,10b-hexahydrophenanthridine has a molecular weight of 185.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7,10,10b-hexahydrophenanthridine is sourced from PubChem (CID 57068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).