N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C11H15NO4 — CID 77114203

IUPACN-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCC(O)CO)o1
InChIInChI=1S/C11H15NO4/c1-8-2-3-10(16-8)4-5-11(15)12-6-9(14)7-13/h2-5,9,13-14H,6-7H2,1H3,(H,12,15)
InChIKeyKMATWRMAMSTHLL-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.07
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 77114203) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID77114203
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCC(O)CO)o1
InChIInChI=1S/C11H15NO4/c1-8-2-3-10(16-8)4-5-11(15)12-6-9(14)7-13/h2-5,9,13-14H,6-7H2,1H3,(H,12,15)
InChIKeyKMATWRMAMSTHLL-UHFFFAOYSA-N
XLogP0.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
3-(5-methylfuran-2-yl)-N-[4-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]pentyl]prop-2-enamide
CID 72690283
4,4-dimethyl-2-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 107474203
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75387649
methyl (2S)-3-hydroxy-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propanoate
CID 113355780
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115362561
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26456915
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 103940956
3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 3354969

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 77114203) is N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)NCC(O)CO)o1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is KMATWRMAMSTHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-2-3-10(16-8)4-5-11(15)12-6-9(14)7-13/h2-5,9,13-14H,6-7H2,1H3,(H,12,15).
What are the key properties of N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 225.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 77114203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).