(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine

C10H13N3O2 — CID 136951960

IUPAC(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine
SMILESCCOc1ccc2c(n1)NCC/C2=N\O
InChIInChI=1S/C10H13N3O2/c1-2-15-9-4-3-7-8(13-14)5-6-11-10(7)12-9/h3-4,14H,2,5-6H2,1H3,(H,11,12)/b13-8+
InChIKeyINJIIHOAGKPDMC-MDWZMJQESA-N
MW207.23 g/mol
LogP1.47
Rot. Bonds2

About (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine

(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine (PubChem CID 136951960) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine
PubChem CID136951960
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine
SMILESCCOc1ccc2c(n1)NCC/C2=N\O
InChIInChI=1S/C10H13N3O2/c1-2-15-9-4-3-7-8(13-14)5-6-11-10(7)12-9/h3-4,14H,2,5-6H2,1H3,(H,11,12)/b13-8+
InChIKeyINJIIHOAGKPDMC-MDWZMJQESA-N
XLogP1.47
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine (CID 136951960) is (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine is CCOc1ccc2c(n1)NCC/C2=N\O.
What is the InChIKey of (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine?
The InChIKey is INJIIHOAGKPDMC-MDWZMJQESA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-15-9-4-3-7-8(13-14)5-6-11-10(7)12-9/h3-4,14H,2,5-6H2,1H3,(H,11,12)/b13-8+.
What are the key properties of (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine?
(NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine has a molecular weight of 207.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-ethoxy-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)hydroxylamine is sourced from PubChem (CID 136951960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).