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

C13H15NO — CID 22729348

IUPAC1,2,3,4,4a,5-hexahydrophenanthridin-4-ol
SMILESOC1CCCC2=c3ccccc3=CNC21
InChIInChI=1S/C13H15NO/c15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12/h1-2,4-5,8,12-15H,3,6-7H2
InChIKeyBDVOBTTVZPYTDX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.09
Rot. Bonds

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

1,2,3,4,4a,5-hexahydrophenanthridin-4-ol (PubChem CID 22729348) 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-4-ol.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydrophenanthridin-4-ol
PubChem CID22729348
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,2,3,4,4a,5-hexahydrophenanthridin-4-ol
SMILESOC1CCCC2=c3ccccc3=CNC21
InChIInChI=1S/C13H15NO/c15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12/h1-2,4-5,8,12-15H,3,6-7H2
InChIKeyBDVOBTTVZPYTDX-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol?
The IUPAC name of 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol (CID 22729348) is 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol?
The canonical SMILES for 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol is OC1CCCC2=c3ccccc3=CNC21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol?
The InChIKey is BDVOBTTVZPYTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12/h1-2,4-5,8,12-15H,3,6-7H2.
What are the key properties of 1,2,3,4,4a,5-hexahydrophenanthridin-4-ol?
1,2,3,4,4a,5-hexahydrophenanthridin-4-ol has a molecular weight of 201.27 g/mol, XLogP of 0.09, 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-4-ol is sourced from PubChem (CID 22729348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).