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

C15H21NO3 — CID 79328887

IUPACmethyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate
SMILESCCC(=Cc1cc(C(=O)OC)c(C)o1)CNC1CC1
InChIInChI=1S/C15H21NO3/c1-4-11(9-16-12-5-6-12)7-13-8-14(10(2)19-13)15(17)18-3/h7-8,12,16H,4-6,9H2,1-3H3
InChIKeyMJSLOLMQALSQDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.92
Rot. Bonds6

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

methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate (PubChem CID 79328887) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate
PubChem CID79328887
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate
SMILESCCC(=Cc1cc(C(=O)OC)c(C)o1)CNC1CC1
InChIInChI=1S/C15H21NO3/c1-4-11(9-16-12-5-6-12)7-13-8-14(10(2)19-13)15(17)18-3/h7-8,12,16H,4-6,9H2,1-3H3
InChIKeyMJSLOLMQALSQDY-UHFFFAOYSA-N
XLogP2.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate (CID 79328887) is methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate is CCC(=Cc1cc(C(=O)OC)c(C)o1)CNC1CC1.
What is the InChIKey of methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate?
The InChIKey is MJSLOLMQALSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11(9-16-12-5-6-12)7-13-8-14(10(2)19-13)15(17)18-3/h7-8,12,16H,4-6,9H2,1-3H3.
What are the key properties of methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate?
methyl 5-[2-[(cyclopropylamino)methyl]but-1-enyl]-2-methylfuran-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.92, 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]but-1-enyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 79328887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).