(E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide

C11H15NO2 — CID 962770

IUPAC(E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccco1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)11(13)8-7-10-6-5-9-14-10/h5-9H,3-4H2,1-2H3/b8-7+
InChIKeySNAOWLCUPMYHIR-BQYQJAHWSA-N
MW193.25 g/mol
LogP2.16
Rot. Bonds4

About (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide

(E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 962770) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide
PubChem CID962770
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccco1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)11(13)8-7-10-6-5-9-14-10/h5-9H,3-4H2,1-2H3/b8-7+
InChIKeySNAOWLCUPMYHIR-BQYQJAHWSA-N
XLogP2.16
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide (CID 962770) is (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide is CCN(CC)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SNAOWLCUPMYHIR-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12(4-2)11(13)8-7-10-6-5-9-14-10/h5-9H,3-4H2,1-2H3/b8-7+.
What are the key properties of (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide?
(E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 962770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).