ethylaminomethyl furan-3-carboxylate

C8H11NO3 — CID 67217509

IUPACethylaminomethyl furan-3-carboxylate
SMILESCCNCOC(=O)c1ccoc1
InChIInChI=1S/C8H11NO3/c1-2-9-6-12-8(10)7-3-4-11-5-7/h3-5,9H,2,6H2,1H3
InChIKeyBOTHOWXWNMOXMT-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.00
Rot. Bonds4

About ethylaminomethyl furan-3-carboxylate

ethylaminomethyl furan-3-carboxylate (PubChem CID 67217509) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethylaminomethyl furan-3-carboxylate.

Molecular Properties

Compound Nameethylaminomethyl furan-3-carboxylate
PubChem CID67217509
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethylaminomethyl furan-3-carboxylate
SMILESCCNCOC(=O)c1ccoc1
InChIInChI=1S/C8H11NO3/c1-2-9-6-12-8(10)7-3-4-11-5-7/h3-5,9H,2,6H2,1H3
InChIKeyBOTHOWXWNMOXMT-UHFFFAOYSA-N
XLogP1.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-furoate
CID 69201
3-Hydroxymethylfuran-N-ethylcarbamate
CID 170934
Propyl Furan-3-carboxylate
CID 3792304
Prop-2-enyl furan-3-carboxylate
CID 45090099
[(Z)-prop-1-enyl] furan-3-carboxylate
CID 89315599
Carbamic acid, diethyl-, 3-furanylmethyl ester
CID 191159
Butanoyl furan-3-carboxylate
CID 17942767
Butyl furan-3-carboxylate
CID 20277545
2-Aminoacetic acid;furan-3-carbaldehyde
CID 23295589
furan-3-ylmethyl N-methylcarbamate
CID 57025329
furan-3-ylmethyl N-propan-2-ylcarbamate
CID 58805073
Propan-2-yl furan-3-carboxylate
CID 60704528

Frequently Asked Questions

What is the IUPAC name of ethylaminomethyl furan-3-carboxylate?
The IUPAC name of ethylaminomethyl furan-3-carboxylate (CID 67217509) is ethylaminomethyl furan-3-carboxylate.
What is the SMILES notation for ethylaminomethyl furan-3-carboxylate?
The canonical SMILES for ethylaminomethyl furan-3-carboxylate is CCNCOC(=O)c1ccoc1.
What is the InChIKey of ethylaminomethyl furan-3-carboxylate?
The InChIKey is BOTHOWXWNMOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-9-6-12-8(10)7-3-4-11-5-7/h3-5,9H,2,6H2,1H3.
What are the key properties of ethylaminomethyl furan-3-carboxylate?
ethylaminomethyl furan-3-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminomethyl furan-3-carboxylate is sourced from PubChem (CID 67217509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).