methylaminomethyl furan-3-carboxylate

C7H9NO3 — CID 154460912

IUPACmethylaminomethyl furan-3-carboxylate
SMILESCNCOC(=O)c1ccoc1
InChIInChI=1S/C7H9NO3/c1-8-5-11-7(9)6-2-3-10-4-6/h2-4,8H,5H2,1H3
InChIKeyMMEAMMKYVQQQKT-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.61
Rot. Bonds3

About methylaminomethyl furan-3-carboxylate

methylaminomethyl furan-3-carboxylate (PubChem CID 154460912) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methylaminomethyl furan-3-carboxylate.

Molecular Properties

Compound Namemethylaminomethyl furan-3-carboxylate
PubChem CID154460912
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethylaminomethyl furan-3-carboxylate
SMILESCNCOC(=O)c1ccoc1
InChIInChI=1S/C7H9NO3/c1-8-5-11-7(9)6-2-3-10-4-6/h2-4,8H,5H2,1H3
InChIKeyMMEAMMKYVQQQKT-UHFFFAOYSA-N
XLogP0.61
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylaminomethyl furan-3-carboxylate?
The IUPAC name of methylaminomethyl furan-3-carboxylate (CID 154460912) is methylaminomethyl furan-3-carboxylate.
What is the SMILES notation for methylaminomethyl furan-3-carboxylate?
The canonical SMILES for methylaminomethyl furan-3-carboxylate is CNCOC(=O)c1ccoc1.
What is the InChIKey of methylaminomethyl furan-3-carboxylate?
The InChIKey is MMEAMMKYVQQQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-8-5-11-7(9)6-2-3-10-4-6/h2-4,8H,5H2,1H3.
What are the key properties of methylaminomethyl furan-3-carboxylate?
methylaminomethyl furan-3-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethyl furan-3-carboxylate is sourced from PubChem (CID 154460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).