1,2,3,4,4a,5-hexahydrophenanthridin-7-ol

C13H15NO — CID 140547611

IUPAC1,2,3,4,4a,5-hexahydrophenanthridin-7-ol
SMILESOc1cccc2c1=CNC1CCCCC=21
InChIInChI=1S/C13H15NO/c15-13-7-3-5-9-10-4-1-2-6-12(10)14-8-11(9)13/h3,5,7-8,12,14-15H,1-2,4,6H2
InChIKeyJOMFHSQSHSZUCA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.83
Rot. Bonds

About 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol

1,2,3,4,4a,5-hexahydrophenanthridin-7-ol (PubChem CID 140547611) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrophenanthridin-7-ol
PubChem CID140547611
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,2,3,4,4a,5-hexahydrophenanthridin-7-ol
SMILESOc1cccc2c1=CNC1CCCCC=21
InChIInChI=1S/C13H15NO/c15-13-7-3-5-9-10-4-1-2-6-12(10)14-8-11(9)13/h3,5,7-8,12,14-15H,1-2,4,6H2
InChIKeyJOMFHSQSHSZUCA-UHFFFAOYSA-N
XLogP0.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4a,5-Dihydrophenanthridin-10-ol
CID 57204550
1,2,3,4,4a,5,6,6a-Octahydrophenanthridin-9-ol
CID 70538927
5,6,7,8-tetrahydro-1H-quinolin-8a-ol
CID 89313183
1,2,3,4,4a,5-Hexahydrophenanthridin-7-yl hydrogen sulfate
CID 91219044
CID 178186121
CID 178186121

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol?
The IUPAC name of 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol (CID 140547611) is 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol is Oc1cccc2c1=CNC1CCCCC=21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol?
The InChIKey is JOMFHSQSHSZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-7-3-5-9-10-4-1-2-6-12(10)14-8-11(9)13/h3,5,7-8,12,14-15H,1-2,4,6H2.
What are the key properties of 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol?
1,2,3,4,4a,5-hexahydrophenanthridin-7-ol has a molecular weight of 201.27 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydrophenanthridin-7-ol is sourced from PubChem (CID 140547611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).