(NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine

C12H13NO2 — CID 56658715

IUPAC(NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
SMILESCC1(C)C=Cc2cc(/C=N/O)ccc2O1
InChIInChI=1S/C12H13NO2/c1-12(2)6-5-10-7-9(8-13-14)3-4-11(10)15-12/h3-8,14H,1-2H3/b13-8+
InChIKeyLNFNZYFYPLMKFG-MDWZMJQESA-N
MW203.24 g/mol
LogP2.68
Rot. Bonds1

About (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine

(NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine (PubChem CID 56658715) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
PubChem CID56658715
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
SMILESCC1(C)C=Cc2cc(/C=N/O)ccc2O1
InChIInChI=1S/C12H13NO2/c1-12(2)6-5-10-7-9(8-13-14)3-4-11(10)15-12/h3-8,14H,1-2H3/b13-8+
InChIKeyLNFNZYFYPLMKFG-MDWZMJQESA-N
XLogP2.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.68
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-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine (CID 56658715) is (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine is CC1(C)C=Cc2cc(/C=N/O)ccc2O1.
What is the InChIKey of (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
The InChIKey is LNFNZYFYPLMKFG-MDWZMJQESA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)6-5-10-7-9(8-13-14)3-4-11(10)15-12/h3-8,14H,1-2H3/b13-8+.
What are the key properties of (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine?
(NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine has a molecular weight of 203.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,2-dimethylchromen-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56658715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).