ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate

C13H19NO3 — CID 115539193

IUPACethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1ccc(C)o1
InChIInChI=1S/C13H19NO3/c1-4-8-14(10-13(15)16-5-2)9-12-7-6-11(3)17-12/h4,6-7H,1,5,8-10H2,2-3H3
InChIKeyRLEQIJXGRSPRSN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.14
Rot. Bonds7

About ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate

ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate (PubChem CID 115539193) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
PubChem CID115539193
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1ccc(C)o1
InChIInChI=1S/C13H19NO3/c1-4-8-14(10-13(15)16-5-2)9-12-7-6-11(3)17-12/h4,6-7H,1,5,8-10H2,2-3H3
InChIKeyRLEQIJXGRSPRSN-UHFFFAOYSA-N
XLogP2.14
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 51362686
ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78979130
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833
methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
CID 78977603
ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate
CID 78964769
ethyl 2-[(3-bromothiophen-2-yl)methyl-prop-2-enylamino]acetate
CID 78977546
ethyl 2-[(2-bromo-5-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 78942093
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847
ethyl 2-[(2-chloro-3-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 112550232
ethyl 2-[(4-bromo-2-chlorophenyl)methyl-prop-2-enylamino]acetate
CID 113228495
ethyl 2-[(2-chloro-4-nitrophenyl)methyl-prop-2-enylamino]acetate
CID 115539172

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate (CID 115539193) is ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)Cc1ccc(C)o1.
What is the InChIKey of ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate?
The InChIKey is RLEQIJXGRSPRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-8-14(10-13(15)16-5-2)9-12-7-6-11(3)17-12/h4,6-7H,1,5,8-10H2,2-3H3.
What are the key properties of ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate?
ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate is sourced from PubChem (CID 115539193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).