(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine

C13H15NO3 — CID 56658714

IUPAC(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine
SMILESCOc1c(/C=N/O)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C13H15NO3/c1-13(2)7-6-9-4-5-10(8-14-15)11(16-3)12(9)17-13/h4-8,15H,1-3H3/b14-8+
InChIKeyNELGBFGZNZWNRU-RIYZIHGNSA-N
MW233.27 g/mol
LogP2.69
Rot. Bonds2

About (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine

(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine (PubChem CID 56658714) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine
PubChem CID56658714
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine
SMILESCOc1c(/C=N/O)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C13H15NO3/c1-13(2)7-6-9-4-5-10(8-14-15)11(16-3)12(9)17-13/h4-8,15H,1-3H3/b14-8+
InChIKeyNELGBFGZNZWNRU-RIYZIHGNSA-N
XLogP2.69
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2,2-dimethylpyrano[2,3-f]chromen-8-one
CID 53493306
methyl (E)-3-[3-[acetyl-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]amino]phenyl]prop-2-enoate
CID 10895098
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[4-[(E)-3-oxoprop-1-enyl]phenyl]cyclopropanecarboxamide
CID 89090227
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide
CID 59205480
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
8-methoxy-2,2-dimethylchromene-6-carbaldehyde
CID 13248419
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclopropanecarboxamide
CID 59205468
(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate
CID 23271804
N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide
CID 89090224
3-(hydroxyiminomethyl)-2-methoxybenzamide
CID 143987330
8-tert-butyl-6-methoxy-2,2-dimethylchromene
CID 135002178
2,5-dichloro-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylbenzenesulfonamide
CID 56665512

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine (CID 56658714) is (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine is COc1c(/C=N/O)ccc2c1OC(C)(C)C=C2.
What is the InChIKey of (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine?
The InChIKey is NELGBFGZNZWNRU-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)7-6-9-4-5-10(8-14-15)11(16-3)12(9)17-13/h4-8,15H,1-3H3/b14-8+.
What are the key properties of (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine?
(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine has a molecular weight of 233.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56658714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).