methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate

C14H17NO4 — CID 132992286

IUPACmethyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate
SMILESCOC(=O)C1=Cc2cc(OC)ccc2OC1N(C)C
InChIInChI=1S/C14H17NO4/c1-15(2)13-11(14(16)18-4)8-9-7-10(17-3)5-6-12(9)19-13/h5-8,13H,1-4H3
InChIKeyDWVUWZBXVIOJPS-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.53
Rot. Bonds3

About methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate

methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate (PubChem CID 132992286) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate
PubChem CID132992286
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate
SMILESCOC(=O)C1=Cc2cc(OC)ccc2OC1N(C)C
InChIInChI=1S/C14H17NO4/c1-15(2)13-11(14(16)18-4)8-9-7-10(17-3)5-6-12(9)19-13/h5-8,13H,1-4H3
InChIKeyDWVUWZBXVIOJPS-UHFFFAOYSA-N
XLogP1.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate (CID 132992286) is methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate is COC(=O)C1=Cc2cc(OC)ccc2OC1N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate?
The InChIKey is DWVUWZBXVIOJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(2)13-11(14(16)18-4)8-9-7-10(17-3)5-6-12(9)19-13/h5-8,13H,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate?
methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-6-methoxy-2H-chromene-3-carboxylate is sourced from PubChem (CID 132992286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).