methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate

C15H15NO3 — CID 82046178

IUPACmethyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c1ccc1ccccc21
InChIInChI=1S/C15H15NO3/c1-18-14(17)15(16)8-9-19-13-11-5-3-2-4-10(11)6-7-12(13)15/h2-7H,8-9,16H2,1H3
InChIKeyHXKRODOQXRFYQC-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds1

About methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate

methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate (PubChem CID 82046178) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate
PubChem CID82046178
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c1ccc1ccccc21
InChIInChI=1S/C15H15NO3/c1-18-14(17)15(16)8-9-19-13-11-5-3-2-4-10(11)6-7-12(13)15/h2-7H,8-9,16H2,1H3
InChIKeyHXKRODOQXRFYQC-UHFFFAOYSA-N
XLogP1.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate
CID 82046154
methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046162
methyl 4-amino-6-bromo-8-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046170
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
CID 102098677
methyl (2S,4R)-2-hydroxy-4-phenyl-3,4-dihydrobenzo[h]chromene-2-carboxylate
CID 56931553
methyl 2H-benzo[h]chromene-4-carboxylate
CID 91192187
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
methyl 4-[(1-hydroxynaphthalene-2-carbonyl)amino]thiane-4-carboxylate
CID 68843879

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate?
The IUPAC name of methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate (CID 82046178) is methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate.
What is the SMILES notation for methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate?
The canonical SMILES for methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate is COC(=O)C1(N)CCOc2c1ccc1ccccc21.
What is the InChIKey of methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate?
The InChIKey is HXKRODOQXRFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-14(17)15(16)8-9-19-13-11-5-3-2-4-10(11)6-7-12(13)15/h2-7H,8-9,16H2,1H3.
What are the key properties of methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate?
methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate is sourced from PubChem (CID 82046178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).