(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

C15H16N2O2 — CID 47136479

IUPAC(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCC1CCCO1
InChIInChI=1S/C15H16N2O2/c16-10-13-5-2-1-4-12(13)7-8-15(18)17-11-14-6-3-9-19-14/h1-2,4-5,7-8,14H,3,6,9,11H2,(H,17,18)/b8-7+
InChIKeyGQBMBASYCARFRN-BQYQJAHWSA-N
MW256.31 g/mol
LogP1.87
Rot. Bonds4

About (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 47136479) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID47136479
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCC1CCCO1
InChIInChI=1S/C15H16N2O2/c16-10-13-5-2-1-4-12(13)7-8-15(18)17-11-14-6-3-9-19-14/h1-2,4-5,7-8,14H,3,6,9,11H2,(H,17,18)/b8-7+
InChIKeyGQBMBASYCARFRN-BQYQJAHWSA-N
XLogP1.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.87
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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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethylcarbamothioyl)prop-2-enamide
CID 6134033
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
(E)-3-(3-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 7964689
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 42992214
(E)-3-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 725844
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205610
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43016025
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2372728

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 47136479) is (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is N#Cc1ccccc1/C=C/C(=O)NCC1CCCO1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is GQBMBASYCARFRN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-10-13-5-2-1-4-12(13)7-8-15(18)17-11-14-6-3-9-19-14/h1-2,4-5,7-8,14H,3,6,9,11H2,(H,17,18)/b8-7+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 47136479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).