methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate

C15H21NO3 — CID 81142633

IUPACmethyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate
SMILESCNC1(CC(=O)OC)CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H21NO3/c1-14(2)10-15(16-3,9-13(17)18-4)11-7-5-6-8-12(11)19-14/h5-8,16H,9-10H2,1-4H3
InChIKeyHYZKRAFGTIIHEB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds3

About methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate

methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate (PubChem CID 81142633) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate
PubChem CID81142633
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate
SMILESCNC1(CC(=O)OC)CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H21NO3/c1-14(2)10-15(16-3,9-13(17)18-4)11-7-5-6-8-12(11)19-14/h5-8,16H,9-10H2,1-4H3
InChIKeyHYZKRAFGTIIHEB-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate?
The IUPAC name of methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate (CID 81142633) is methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate?
The canonical SMILES for methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate is CNC1(CC(=O)OC)CC(C)(C)Oc2ccccc21.
What is the InChIKey of methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate?
The InChIKey is HYZKRAFGTIIHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2)10-15(16-3,9-13(17)18-4)11-7-5-6-8-12(11)19-14/h5-8,16H,9-10H2,1-4H3.
What are the key properties of methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate?
methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate is sourced from PubChem (CID 81142633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).