[1,3]dioxolo[4,5-i]phenanthridine

C14H9NO2 — CID 25093266

IUPAC[1,3]dioxolo[4,5-i]phenanthridine
SMILESc1ccc2c(c1)ncc1c3c(ccc12)OCO3
InChIInChI=1S/C14H9NO2/c1-2-4-12-10(3-1)9-5-6-13-14(17-8-16-13)11(9)7-15-12/h1-7H,8H2
InChIKeyBDHOVBWCQYUPEN-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.12
Rot. Bonds

About [1,3]dioxolo[4,5-i]phenanthridine

[1,3]dioxolo[4,5-i]phenanthridine (PubChem CID 25093266) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-i]phenanthridine.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-i]phenanthridine
PubChem CID25093266
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name[1,3]dioxolo[4,5-i]phenanthridine
SMILESc1ccc2c(c1)ncc1c3c(ccc12)OCO3
InChIInChI=1S/C14H9NO2/c1-2-4-12-10(3-1)9-5-6-13-14(17-8-16-13)11(9)7-15-12/h1-7H,8H2
InChIKeyBDHOVBWCQYUPEN-UHFFFAOYSA-N
XLogP3.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-i]phenanthridine?
The IUPAC name of [1,3]dioxolo[4,5-i]phenanthridine (CID 25093266) is [1,3]dioxolo[4,5-i]phenanthridine.
What is the SMILES notation for [1,3]dioxolo[4,5-i]phenanthridine?
The canonical SMILES for [1,3]dioxolo[4,5-i]phenanthridine is c1ccc2c(c1)ncc1c3c(ccc12)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-i]phenanthridine?
The InChIKey is BDHOVBWCQYUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)9-5-6-13-14(17-8-16-13)11(9)7-15-12/h1-7H,8H2.
What are the key properties of [1,3]dioxolo[4,5-i]phenanthridine?
[1,3]dioxolo[4,5-i]phenanthridine has a molecular weight of 223.23 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-i]phenanthridine is sourced from PubChem (CID 25093266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).