(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one

C11H15NO2 — CID 23591129

IUPAC(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
SMILESCC(C)(C)N/C=C/C(=O)c1ccco1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-7-6-9(13)10-5-4-8-14-10/h4-8,12H,1-3H3/b7-6+
InChIKeyLOFPLCCHOBOECG-VOTSOKGWSA-N
MW193.25 g/mol
LogP2.36
Rot. Bonds3

About (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one

(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 23591129) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
PubChem CID23591129
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
SMILESCC(C)(C)N/C=C/C(=O)c1ccco1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-7-6-9(13)10-5-4-8-14-10/h4-8,12H,1-3H3/b7-6+
InChIKeyLOFPLCCHOBOECG-VOTSOKGWSA-N
XLogP2.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one (CID 23591129) is (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one is CC(C)(C)N/C=C/C(=O)c1ccco1.
What is the InChIKey of (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is LOFPLCCHOBOECG-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)12-7-6-9(13)10-5-4-8-14-10/h4-8,12H,1-3H3/b7-6+.
What are the key properties of (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one?
(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 23591129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).