methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate

C12H17NO3 — CID 115247585

IUPACmethyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNCc2ccc(C)o2)CC1
InChIInChI=1S/C12H17NO3/c1-9-3-4-10(16-9)7-13-8-12(5-6-12)11(14)15-2/h3-4,13H,5-8H2,1-2H3
InChIKeyPZQJTKRDCAWDNH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.63
Rot. Bonds5

About methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247585) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
PubChem CID115247585
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNCc2ccc(C)o2)CC1
InChIInChI=1S/C12H17NO3/c1-9-3-4-10(16-9)7-13-8-12(5-6-12)11(14)15-2/h3-4,13H,5-8H2,1-2H3
InChIKeyPZQJTKRDCAWDNH-UHFFFAOYSA-N
XLogP1.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247559
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
methyl 1-[[(4-methoxy-3-methylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247551
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
CID 17486432
methyl 1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylate
CID 115247320
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
CID 104644390
methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate (CID 115247585) is methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CNCc2ccc(C)o2)CC1.
What is the InChIKey of methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is PZQJTKRDCAWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-3-4-10(16-9)7-13-8-12(5-6-12)11(14)15-2/h3-4,13H,5-8H2,1-2H3.
What are the key properties of methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).