5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C15H15NO5 — CID 75429253

IUPAC5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)/C=C/c2ccco2)cc1C(=O)O
InChIInChI=1S/C15H15NO5/c1-10-13(15(18)19)8-12(21-10)9-16(2)14(17)6-5-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H,18,19)/b6-5+
InChIKeyMZFWIOZMDBUJHW-AATRIKPKSA-N
MW289.29 g/mol
LogP2.55
Rot. Bonds5

About 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 75429253) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID75429253
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)/C=C/c2ccco2)cc1C(=O)O
InChIInChI=1S/C15H15NO5/c1-10-13(15(18)19)8-12(21-10)9-16(2)14(17)6-5-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H,18,19)/b6-5+
InChIKeyMZFWIOZMDBUJHW-AATRIKPKSA-N
XLogP2.55
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
5-[[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 126786926
2-methyl-5-[[methyl-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]methyl]furan-3-carboxylic acid
CID 126796017
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717
methyl 5-[[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34481666
2-methyl-5-[[methyl-(6-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119221765
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672

Frequently Asked Questions

What is the IUPAC name of 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 75429253) is 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)/C=C/c2ccco2)cc1C(=O)O.
What is the InChIKey of 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is MZFWIOZMDBUJHW-AATRIKPKSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10-13(15(18)19)8-12(21-10)9-16(2)14(17)6-5-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H,18,19)/b6-5+.
What are the key properties of 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 75429253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).