(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine

C11H13NO4 — CID 119092048

IUPAC(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCOc1cc2c(cc1OC)/C(=N/O)CCO2
InChIInChI=1S/C11H13NO4/c1-14-10-5-7-8(12-13)3-4-16-9(7)6-11(10)15-2/h5-6,13H,3-4H2,1-2H3/b12-8+
InChIKeyUIHHRIYDUOGZPR-XYOKQWHBSA-N
MW223.23 g/mol
LogP1.66
Rot. Bonds2

About (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine

(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine (PubChem CID 119092048) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine
PubChem CID119092048
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine
SMILESCOc1cc2c(cc1OC)/C(=N/O)CCO2
InChIInChI=1S/C11H13NO4/c1-14-10-5-7-8(12-13)3-4-16-9(7)6-11(10)15-2/h5-6,13H,3-4H2,1-2H3/b12-8+
InChIKeyUIHHRIYDUOGZPR-XYOKQWHBSA-N
XLogP1.66
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
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-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine (CID 119092048) is (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine is COc1cc2c(cc1OC)/C(=N/O)CCO2.
What is the InChIKey of (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine?
The InChIKey is UIHHRIYDUOGZPR-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-14-10-5-7-8(12-13)3-4-16-9(7)6-11(10)15-2/h5-6,13H,3-4H2,1-2H3/b12-8+.
What are the key properties of (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine?
(NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine has a molecular weight of 223.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6,7-dimethoxy-2,3-dihydrochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 119092048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).