N-(furan-2-ylmethoxy)-2-methylprop-2-enamide

C9H11NO3 — CID 134839007

IUPACN-(furan-2-ylmethoxy)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOCc1ccco1
InChIInChI=1S/C9H11NO3/c1-7(2)9(11)10-13-6-8-4-3-5-12-8/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeyZRJONXTTXBJTKJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.40
Rot. Bonds4

About N-(furan-2-ylmethoxy)-2-methylprop-2-enamide

N-(furan-2-ylmethoxy)-2-methylprop-2-enamide (PubChem CID 134839007) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(furan-2-ylmethoxy)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(furan-2-ylmethoxy)-2-methylprop-2-enamide
PubChem CID134839007
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-(furan-2-ylmethoxy)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NOCc1ccco1
InChIInChI=1S/C9H11NO3/c1-7(2)9(11)10-13-6-8-4-3-5-12-8/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeyZRJONXTTXBJTKJ-UHFFFAOYSA-N
XLogP1.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
2-(furan-2-ylmethoxymethyl)-N-methylprop-2-en-1-amine
CID 103074355
furan-2-ylmethyl 2-acetylsulfanylacetate
CID 139696753
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-tert-butyl-2-(furan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074352
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
CID 79622612
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
furan-2-ylmethyl pent-2-enoate
CID 140682231
2,3-dimethyl-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
CID 77054852

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethoxy)-2-methylprop-2-enamide?
The IUPAC name of N-(furan-2-ylmethoxy)-2-methylprop-2-enamide (CID 134839007) is N-(furan-2-ylmethoxy)-2-methylprop-2-enamide.
What is the SMILES notation for N-(furan-2-ylmethoxy)-2-methylprop-2-enamide?
The canonical SMILES for N-(furan-2-ylmethoxy)-2-methylprop-2-enamide is C=C(C)C(=O)NOCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethoxy)-2-methylprop-2-enamide?
The InChIKey is ZRJONXTTXBJTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7(2)9(11)10-13-6-8-4-3-5-12-8/h3-5H,1,6H2,2H3,(H,10,11).
What are the key properties of N-(furan-2-ylmethoxy)-2-methylprop-2-enamide?
N-(furan-2-ylmethoxy)-2-methylprop-2-enamide has a molecular weight of 181.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethoxy)-2-methylprop-2-enamide is sourced from PubChem (CID 134839007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).