(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine

C12H15NO3 — CID 52985857

IUPAC(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1)/C(=N/O)CC(C)(C)O2
InChIInChI=1S/C12H15NO3/c1-12(2)7-10(13-14)9-6-8(15-3)4-5-11(9)16-12/h4-6,14H,7H2,1-3H3/b13-10+
InChIKeyPXSVMKRGPKFNRM-JLHYYAGUSA-N
MW221.26 g/mol
LogP2.43
Rot. Bonds1

About (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine

(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine (PubChem CID 52985857) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine
PubChem CID52985857
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1)/C(=N/O)CC(C)(C)O2
InChIInChI=1S/C12H15NO3/c1-12(2)7-10(13-14)9-6-8(15-3)4-5-11(9)16-12/h4-6,14H,7H2,1-3H3/b13-10+
InChIKeyPXSVMKRGPKFNRM-JLHYYAGUSA-N
XLogP2.43
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine (CID 52985857) is (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine is COc1ccc2c(c1)/C(=N/O)CC(C)(C)O2.
What is the InChIKey of (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine?
The InChIKey is PXSVMKRGPKFNRM-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2)7-10(13-14)9-6-8(15-3)4-5-11(9)16-12/h4-6,14H,7H2,1-3H3/b13-10+.
What are the key properties of (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine?
(NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 52985857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).