(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine

C11H11NO2 — CID 13062910

IUPAC(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
SMILESCc1oc2ccccc2/c(=N/O)c1C
InChIInChI=1S/C11H11NO2/c1-7-8(2)14-10-6-4-3-5-9(10)11(7)12-13/h3-6,13H,1-2H3/b12-11+
InChIKeyAQVFBWREWDIEIG-VAWYXSNFSA-N
MW189.21 g/mol
LogP2.34
Rot. Bonds

About (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine

(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine (PubChem CID 13062910) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
PubChem CID13062910
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
SMILESCc1oc2ccccc2/c(=N/O)c1C
InChIInChI=1S/C11H11NO2/c1-7-8(2)14-10-6-4-3-5-9(10)11(7)12-13/h3-6,13H,1-2H3/b12-11+
InChIKeyAQVFBWREWDIEIG-VAWYXSNFSA-N
XLogP2.34
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine
CID 13196582
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
N-chromeno[2,3-c]pyridin-5-ylidenehydroxylamine
CID 137205389
ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
N-hydroxy-N'-(2-methyl-1-benzofuran-3-yl)ethanimidamide
CID 91622417
2-fluoro-3-methyl-1-benzofuran
CID 45090481
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
4-hydroxy-3-methylchromen-2-one
CID 54687016
2-(3-methyl-1-benzofuran-2-yl)propan-2-ol
CID 116987203
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
dibenzofuran;ethanol
CID 174821059
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine (CID 13062910) is (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine is Cc1oc2ccccc2/c(=N/O)c1C.
What is the InChIKey of (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine?
The InChIKey is AQVFBWREWDIEIG-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-8(2)14-10-6-4-3-5-9(10)11(7)12-13/h3-6,13H,1-2H3/b12-11+.
What are the key properties of (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine?
(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine has a molecular weight of 189.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 13062910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).