(NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine

C17H14N2O — CID 88616553

IUPAC(NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine
SMILESO/N=C1\C=CC2=c3ccccc3=C3CC=CC=C3N2C1
InChIInChI=1S/C17H14N2O/c20-18-12-9-10-17-15-6-2-1-5-13(15)14-7-3-4-8-16(14)19(17)11-12/h1-6,8-10,20H,7,11H2/b18-12+
InChIKeySDIWPRFLYJPNST-LDADJPATSA-N
MW262.31 g/mol
LogP1.50
Rot. Bonds

About (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine

(NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine (PubChem CID 88616553) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine
PubChem CID88616553
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine
SMILESO/N=C1\C=CC2=c3ccccc3=C3CC=CC=C3N2C1
InChIInChI=1S/C17H14N2O/c20-18-12-9-10-17-15-6-2-1-5-13(15)14-7-3-4-8-16(14)19(17)11-12/h1-6,8-10,20H,7,11H2/b18-12+
InChIKeySDIWPRFLYJPNST-LDADJPATSA-N
XLogP1.50
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine (CID 88616553) is (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine is O/N=C1\C=CC2=c3ccccc3=C3CC=CC=C3N2C1.
What is the InChIKey of (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine?
The InChIKey is SDIWPRFLYJPNST-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2O/c20-18-12-9-10-17-15-6-2-1-5-13(15)14-7-3-4-8-16(14)19(17)11-12/h1-6,8-10,20H,7,11H2/b18-12+.
What are the key properties of (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine?
(NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine has a molecular weight of 262.31 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,6-dihydropyrido[1,2-f]phenanthridin-7-ylidene)hydroxylamine is sourced from PubChem (CID 88616553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).