(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide

C8H10N2O — CID 70232698

IUPAC(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
SMILESNC(=O)/C=C/C1=CCCN=C1
InChIInChI=1S/C8H10N2O/c9-8(11)4-3-7-2-1-5-10-6-7/h2-4,6H,1,5H2,(H2,9,11)/b4-3+
InChIKeyMGIQINGALSHZKG-ONEGZZNKSA-N
MW150.18 g/mol
LogP0.43
Rot. Bonds2

About (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide

(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide (PubChem CID 70232698) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
PubChem CID70232698
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
SMILESNC(=O)/C=C/C1=CCCN=C1
InChIInChI=1S/C8H10N2O/c9-8(11)4-3-7-2-1-5-10-6-7/h2-4,6H,1,5H2,(H2,9,11)/b4-3+
InChIKeyMGIQINGALSHZKG-ONEGZZNKSA-N
XLogP0.43
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
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)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide (CID 70232698) is (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide is NC(=O)/C=C/C1=CCCN=C1.
What is the InChIKey of (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide?
The InChIKey is MGIQINGALSHZKG-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(11)4-3-7-2-1-5-10-6-7/h2-4,6H,1,5H2,(H2,9,11)/b4-3+.
What are the key properties of (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide?
(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide has a molecular weight of 150.18 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 70232698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).