(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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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).