methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate

C14H16ClNO4 — CID 142688068

IUPACmethyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
SMILESCON=C1CC(C)(C)Oc2cc(Cl)c(C(=O)OC)cc21
InChIInChI=1S/C14H16ClNO4/c1-14(2)7-11(16-19-4)9-5-8(13(17)18-3)10(15)6-12(9)20-14/h5-6H,7H2,1-4H3
InChIKeyXGSXLRLSXZZTPV-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.04
Rot. Bonds2

About methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate

methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate (PubChem CID 142688068) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
PubChem CID142688068
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Namemethyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
SMILESCON=C1CC(C)(C)Oc2cc(Cl)c(C(=O)OC)cc21
InChIInChI=1S/C14H16ClNO4/c1-14(2)7-11(16-19-4)9-5-8(13(17)18-3)10(15)6-12(9)20-14/h5-6H,7H2,1-4H3
InChIKeyXGSXLRLSXZZTPV-UHFFFAOYSA-N
XLogP3.04
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate?
The IUPAC name of methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate (CID 142688068) is methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate.
What is the SMILES notation for methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate?
The canonical SMILES for methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate is CON=C1CC(C)(C)Oc2cc(Cl)c(C(=O)OC)cc21.
What is the InChIKey of methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate?
The InChIKey is XGSXLRLSXZZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-14(2)7-11(16-19-4)9-5-8(13(17)18-3)10(15)6-12(9)20-14/h5-6H,7H2,1-4H3.
What are the key properties of methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate?
methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-4-methoxyimino-2,2-dimethyl-3H-chromene-6-carboxylate is sourced from PubChem (CID 142688068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).