methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate

C16H15NO5 — CID 170877453

IUPACmethyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(/C=C\C(N)=O)c2)o1
InChIInChI=1S/C16H15NO5/c1-20-16(19)14-7-6-13(22-14)10-21-12-4-2-3-11(9-12)5-8-15(17)18/h2-9H,10H2,1H3,(H2,17,18)/b8-5-
InChIKeyBFHZTXJKHZFQSA-YVMONPNESA-N
MW301.30 g/mol
LogP2.14
Rot. Bonds6

About methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate

methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate (PubChem CID 170877453) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate
PubChem CID170877453
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(/C=C\C(N)=O)c2)o1
InChIInChI=1S/C16H15NO5/c1-20-16(19)14-7-6-13(22-14)10-21-12-4-2-3-11(9-12)5-8-15(17)18/h2-9H,10H2,1H3,(H2,17,18)/b8-5-
InChIKeyBFHZTXJKHZFQSA-YVMONPNESA-N
XLogP2.14
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
CID 168530565
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219849
5-[[3-[(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 168535569
methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685549
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
methyl 5-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 6877972
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7654003
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate (CID 170877453) is methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2cccc(/C=C\C(N)=O)c2)o1.
What is the InChIKey of methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate?
The InChIKey is BFHZTXJKHZFQSA-YVMONPNESA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-16(19)14-7-6-13(22-14)10-21-12-4-2-3-11(9-12)5-8-15(17)18/h2-9H,10H2,1H3,(H2,17,18)/b8-5-.
What are the key properties of methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 170877453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).