N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide

C10H13NO3 — CID 178173933

IUPACN-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)c1ccco1
InChIInChI=1S/C10H13NO3/c1-7(2)10(13)11-8(6-12)9-4-3-5-14-9/h3-5,8,12H,1,6H2,2H3,(H,11,13)
InChIKeyJYSORTRUPSRLBE-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.01
Rot. Bonds4

About N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide

N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide (PubChem CID 178173933) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
PubChem CID178173933
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CO)c1ccco1
InChIInChI=1S/C10H13NO3/c1-7(2)10(13)11-8(6-12)9-4-3-5-14-9/h3-5,8,12H,1,6H2,2H3,(H,11,13)
InChIKeyJYSORTRUPSRLBE-UHFFFAOYSA-N
XLogP1.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 111799149
N'-[1-(furan-2-yl)-2-hydroxyethyl]-N-(2,4,6-trifluorophenyl)oxamide
CID 111799107
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
CID 134967815
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
2-(ethylamino)-N-[1-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-5-carboxamide
CID 110004120
1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 97337801
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077
2-(1-cyclopropylethylamino)-2-(furan-2-yl)ethanol
CID 115677419
N-(furan-2-ylmethoxy)-2-methylprop-2-enamide
CID 134839007
tert-butyl-[[(1S)-1-(furan-2-yl)-2-hydroxyethyl]amino]-oxidosulfanium
CID 174107664
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide (CID 178173933) is N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CO)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide?
The InChIKey is JYSORTRUPSRLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)10(13)11-8(6-12)9-4-3-5-14-9/h3-5,8,12H,1,6H2,2H3,(H,11,13).
What are the key properties of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide?
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide has a molecular weight of 195.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 178173933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).