4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde

C16H10N2O — CID 135721670

IUPAC4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde
SMILESO=Cc1cnc2c1ccc1c3ccccc3c[nH]c12
InChIInChI=1S/C16H10N2O/c19-9-11-8-18-15-13(11)5-6-14-12-4-2-1-3-10(12)7-17-16(14)15/h1-9,17H
InChIKeyLJEPKHYOTHSAER-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.68
Rot. Bonds1

About 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde

4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde (PubChem CID 135721670) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde.

Molecular Properties

Compound Name4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde
PubChem CID135721670
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde
SMILESO=Cc1cnc2c1ccc1c3ccccc3c[nH]c12
InChIInChI=1S/C16H10N2O/c19-9-11-8-18-15-13(11)5-6-14-12-4-2-1-3-10(12)7-17-16(14)15/h1-9,17H
InChIKeyLJEPKHYOTHSAER-UHFFFAOYSA-N
XLogP3.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde?
The IUPAC name of 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde (CID 135721670) is 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde.
What is the SMILES notation for 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde?
The canonical SMILES for 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde is O=Cc1cnc2c1ccc1c3ccccc3c[nH]c12.
What is the InChIKey of 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde?
The InChIKey is LJEPKHYOTHSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c19-9-11-8-18-15-13(11)5-6-14-12-4-2-1-3-10(12)7-17-16(14)15/h1-9,17H.
What are the key properties of 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde?
4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde has a molecular weight of 246.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[3,2-c]phenanthridine-1-carbaldehyde is sourced from PubChem (CID 135721670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).