ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate

C12H15NO3 — CID 131490898

IUPACethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c1OCC(N)C2
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)10-5-3-4-8-6-9(13)7-16-11(8)10/h3-5,9H,2,6-7,13H2,1H3
InChIKeyIVMMWODADYGUAI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.13
Rot. Bonds2

About ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate

ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate (PubChem CID 131490898) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate
PubChem CID131490898
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c1OCC(N)C2
InChIInChI=1S/C12H15NO3/c1-2-15-12(14)10-5-3-4-8-6-9(13)7-16-11(8)10/h3-5,9H,2,6-7,13H2,1H3
InChIKeyIVMMWODADYGUAI-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate?
The IUPAC name of ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate (CID 131490898) is ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate.
What is the SMILES notation for ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate?
The canonical SMILES for ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate is CCOC(=O)c1cccc2c1OCC(N)C2.
What is the InChIKey of ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate?
The InChIKey is IVMMWODADYGUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-12(14)10-5-3-4-8-6-9(13)7-16-11(8)10/h3-5,9H,2,6-7,13H2,1H3.
What are the key properties of ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate?
ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3,4-dihydro-2H-chromene-8-carboxylate is sourced from PubChem (CID 131490898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).