(E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide

C13H12N2O2 — CID 127030661

IUPAC(E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide
SMILESC/C(=C\c1cc(-c2cccnc2)co1)C(N)=O
InChIInChI=1S/C13H12N2O2/c1-9(13(14)16)5-12-6-11(8-17-12)10-3-2-4-15-7-10/h2-8H,1H3,(H2,14,16)/b9-5+
InChIKeyXDKHQQRDYFPDPW-WEVVVXLNSA-N
MW228.25 g/mol
LogP2.23
Rot. Bonds3

About (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide

(E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide (PubChem CID 127030661) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide
PubChem CID127030661
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide
SMILESC/C(=C\c1cc(-c2cccnc2)co1)C(N)=O
InChIInChI=1S/C13H12N2O2/c1-9(13(14)16)5-12-6-11(8-17-12)10-3-2-4-15-7-10/h2-8H,1H3,(H2,14,16)/b9-5+
InChIKeyXDKHQQRDYFPDPW-WEVVVXLNSA-N
XLogP2.23
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.23
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)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide (CID 127030661) is (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide is C/C(=C\c1cc(-c2cccnc2)co1)C(N)=O.
What is the InChIKey of (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide?
The InChIKey is XDKHQQRDYFPDPW-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9(13(14)16)5-12-6-11(8-17-12)10-3-2-4-15-7-10/h2-8H,1H3,(H2,14,16)/b9-5+.
What are the key properties of (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide?
(E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(4-pyridin-3-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 127030661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).