1,2,5,6,7,10-hexahydrophenanthridine

C13H15N — CID 22397630

IUPAC1,2,5,6,7,10-hexahydrophenanthridine
SMILESC1=CC2=C(CC1)C1=C(CC=CC1)CN2
InChIInChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,4,8,14H,3,5-7,9H2
InChIKeyRKAYMZZTZXQITN-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.84
Rot. Bonds

About 1,2,5,6,7,10-hexahydrophenanthridine

1,2,5,6,7,10-hexahydrophenanthridine (PubChem CID 22397630) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2,5,6,7,10-hexahydrophenanthridine.

Molecular Properties

Compound Name1,2,5,6,7,10-hexahydrophenanthridine
PubChem CID22397630
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,2,5,6,7,10-hexahydrophenanthridine
SMILESC1=CC2=C(CC1)C1=C(CC=CC1)CN2
InChIInChI=1S/C13H15N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,4,8,14H,3,5-7,9H2
InChIKeyRKAYMZZTZXQITN-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,2,5,6,7,10-hexahydrophenanthridine?
The IUPAC name of 1,2,5,6,7,10-hexahydrophenanthridine (CID 22397630) is 1,2,5,6,7,10-hexahydrophenanthridine.
What is the SMILES notation for 1,2,5,6,7,10-hexahydrophenanthridine?
The canonical SMILES for 1,2,5,6,7,10-hexahydrophenanthridine is C1=CC2=C(CC1)C1=C(CC=CC1)CN2.
What is the InChIKey of 1,2,5,6,7,10-hexahydrophenanthridine?
The InChIKey is RKAYMZZTZXQITN-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/h1-2,4,8,14H,3,5-7,9H2.
What are the key properties of 1,2,5,6,7,10-hexahydrophenanthridine?
1,2,5,6,7,10-hexahydrophenanthridine has a molecular weight of 185.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,7,10-hexahydrophenanthridine is sourced from PubChem (CID 22397630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).