(E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide

C9H11NO3 — CID 15141047

IUPAC(E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C9H11NO3/c1-10(12-2)9(11)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+
InChIKeyRAJSAZOPMSKSHV-AATRIKPKSA-N
MW181.19 g/mol
LogP1.31
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide

(E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 15141047) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide
PubChem CID15141047
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide
SMILESCON(C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C9H11NO3/c1-10(12-2)9(11)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+
InChIKeyRAJSAZOPMSKSHV-AATRIKPKSA-N
XLogP1.31
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide (CID 15141047) is (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide is CON(C)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is RAJSAZOPMSKSHV-AATRIKPKSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(12-2)9(11)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide?
(E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 181.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 15141047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).