ethyl 4-amino-2,3-dihydrochromene-4-carboxylate

C12H15NO3 — CID 3944354

IUPACethyl 4-amino-2,3-dihydrochromene-4-carboxylate
SMILESCCOC(=O)C1(N)CCOc2ccccc21
InChIInChI=1S/C12H15NO3/c1-2-15-11(14)12(13)7-8-16-10-6-4-3-5-9(10)12/h3-6H,2,7-8,13H2,1H3
InChIKeyVUWYCWMKYYXJKN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.19
Rot. Bonds2

About ethyl 4-amino-2,3-dihydrochromene-4-carboxylate

ethyl 4-amino-2,3-dihydrochromene-4-carboxylate (PubChem CID 3944354) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 4-amino-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2,3-dihydrochromene-4-carboxylate
PubChem CID3944354
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 4-amino-2,3-dihydrochromene-4-carboxylate
SMILESCCOC(=O)C1(N)CCOc2ccccc21
InChIInChI=1S/C12H15NO3/c1-2-15-11(14)12(13)7-8-16-10-6-4-3-5-9(10)12/h3-6H,2,7-8,13H2,1H3
InChIKeyVUWYCWMKYYXJKN-UHFFFAOYSA-N
XLogP1.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of ethyl 4-amino-2,3-dihydrochromene-4-carboxylate (CID 3944354) is ethyl 4-amino-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for ethyl 4-amino-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for ethyl 4-amino-2,3-dihydrochromene-4-carboxylate is CCOC(=O)C1(N)CCOc2ccccc21.
What is the InChIKey of ethyl 4-amino-2,3-dihydrochromene-4-carboxylate?
The InChIKey is VUWYCWMKYYXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-11(14)12(13)7-8-16-10-6-4-3-5-9(10)12/h3-6H,2,7-8,13H2,1H3.
What are the key properties of ethyl 4-amino-2,3-dihydrochromene-4-carboxylate?
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 3944354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).