2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane

C16H21NO5 — CID 159253373

IUPAC2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane
SMILESC.C=C(C)C(=O)OCCOc1ccc2c(c1N)C(=O)CCO2
InChIInChI=1S/C15H17NO5.CH4/c1-9(2)15(18)21-8-7-20-12-4-3-11-13(14(12)16)10(17)5-6-19-11;/h3-4H,1,5-8,16H2,2H3;1H4
InChIKeyKVOSTALLXUQKRC-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane

2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane (PubChem CID 159253373) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane.

Molecular Properties

Compound Name2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane
PubChem CID159253373
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane
SMILESC.C=C(C)C(=O)OCCOc1ccc2c(c1N)C(=O)CCO2
InChIInChI=1S/C15H17NO5.CH4/c1-9(2)15(18)21-8-7-20-12-4-3-11-13(14(12)16)10(17)5-6-19-11;/h3-4H,1,5-8,16H2,2H3;1H4
InChIKeyKVOSTALLXUQKRC-UHFFFAOYSA-N
XLogP2.37
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-amino-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]ethyl]-2-methylprop-2-enamide
CID 146448763
2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate
CID 21251863
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 141385428
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
2-hydroxyethyl 2-methylprop-2-enoate;methane;oxepan-2-one
CID 158521926
11-[4-[(Z)-1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate
CID 89420091
2-[6-methoxy-7-[2-(2-methylprop-2-enoyloxy)ethoxy]-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl 2-methylprop-2-enoate
CID 137492140
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(4,5-dihydro-1,3-oxazol-2-yl)ethyl 2-methylprop-2-enoate
CID 22678993
2-[2-(2-hydroxyethoxy)-5-(4-methylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200412
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
2-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 146775535

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane?
The IUPAC name of 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane (CID 159253373) is 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane.
What is the SMILES notation for 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane?
The canonical SMILES for 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane is C.C=C(C)C(=O)OCCOc1ccc2c(c1N)C(=O)CCO2.
What is the InChIKey of 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane?
The InChIKey is KVOSTALLXUQKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5.CH4/c1-9(2)15(18)21-8-7-20-12-4-3-11-13(14(12)16)10(17)5-6-19-11;/h3-4H,1,5-8,16H2,2H3;1H4.
What are the key properties of 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane?
2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane has a molecular weight of 307.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-oxo-2,3-dihydrochromen-6-yl)oxy]ethyl 2-methylprop-2-enoate;methane is sourced from PubChem (CID 159253373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).