2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one

C17H17NO4 — CID 102518945

IUPAC2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one
SMILESC=CCn1c2c(c3cc4c(cc3c1=O)OCO4)CC(O)CC2
InChIInChI=1S/C17H17NO4/c1-2-5-18-14-4-3-10(19)6-12(14)11-7-15-16(22-9-21-15)8-13(11)17(18)20/h2,7-8,10,19H,1,3-6,9H2
InChIKeyCIMRBMVYUOTHSF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.77
Rot. Bonds2

About 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one

2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one (PubChem CID 102518945) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one.

Molecular Properties

Compound Name2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one
PubChem CID102518945
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one
SMILESC=CCn1c2c(c3cc4c(cc3c1=O)OCO4)CC(O)CC2
InChIInChI=1S/C17H17NO4/c1-2-5-18-14-4-3-10(19)6-12(14)11-7-15-16(22-9-21-15)8-13(11)17(18)20/h2,7-8,10,19H,1,3-6,9H2
InChIKeyCIMRBMVYUOTHSF-UHFFFAOYSA-N
XLogP1.77
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one?
The IUPAC name of 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one (CID 102518945) is 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one.
What is the SMILES notation for 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one?
The canonical SMILES for 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one is C=CCn1c2c(c3cc4c(cc3c1=O)OCO4)CC(O)CC2.
What is the InChIKey of 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one?
The InChIKey is CIMRBMVYUOTHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-5-18-14-4-3-10(19)6-12(14)11-7-15-16(22-9-21-15)8-13(11)17(18)20/h2,7-8,10,19H,1,3-6,9H2.
What are the key properties of 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one?
2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one has a molecular weight of 299.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-prop-2-enyl-1,2,3,4-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one is sourced from PubChem (CID 102518945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).