methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate

C16H23NO3 — CID 79339106

IUPACmethyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(C=C(CNC2CC2)C(C)C)oc1C
InChIInChI=1S/C16H23NO3/c1-10(2)12(9-17-13-5-6-13)7-14-8-15(11(3)20-14)16(18)19-4/h7-8,10,13,17H,5-6,9H2,1-4H3
InChIKeyQOYMAWSZJUYNSB-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.17
Rot. Bonds6

About methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate

methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate (PubChem CID 79339106) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
PubChem CID79339106
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(C=C(CNC2CC2)C(C)C)oc1C
InChIInChI=1S/C16H23NO3/c1-10(2)12(9-17-13-5-6-13)7-14-8-15(11(3)20-14)16(18)19-4/h7-8,10,13,17H,5-6,9H2,1-4H3
InChIKeyQOYMAWSZJUYNSB-UHFFFAOYSA-N
XLogP3.17
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

[2-[(4-Methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419328
[1-(Cyclohexylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 16301835
[2-(Cyclohexylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2370446
[2-Oxo-2-(propan-2-ylamino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2427689
[2-(Butylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435792
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 24978790
5-[(Diethylazaniumyl)methyl]-2-methylfuran-3-carboxylate
CID 1857692
Methyl 2-methyl-5-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-3-carboxylate
CID 104862601
Methyl 2-methyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]furan-3-carboxylate
CID 106210398
Methyl 5-[(3-fluoropropylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908277
[2-(2-Methylpropylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2435664
methyl 5-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17398738

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate (CID 79339106) is methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(C=C(CNC2CC2)C(C)C)oc1C.
What is the InChIKey of methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
The InChIKey is QOYMAWSZJUYNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)12(9-17-13-5-6-13)7-14-8-15(11(3)20-14)16(18)19-4/h7-8,10,13,17H,5-6,9H2,1-4H3.
What are the key properties of methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate?
methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[(cyclopropylamino)methyl]-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 79339106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).