3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

C14H14N2O2 — CID 77109950

IUPAC3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(=O)NC2CC(O)C2)cc1
InChIInChI=1S/C14H14N2O2/c15-9-11-3-1-10(2-4-11)5-6-14(18)16-12-7-13(17)8-12/h1-6,12-13,17H,7-8H2,(H,16,18)
InChIKeyRYJDGSVDCAEBKO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.21
Rot. Bonds3

About 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (PubChem CID 77109950) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
PubChem CID77109950
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(=O)NC2CC(O)C2)cc1
InChIInChI=1S/C14H14N2O2/c15-9-11-3-1-10(2-4-11)5-6-14(18)16-12-7-13(17)8-12/h1-6,12-13,17H,7-8H2,(H,16,18)
InChIKeyRYJDGSVDCAEBKO-UHFFFAOYSA-N
XLogP1.21
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109962
N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 77104857
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
(E)-N-[1-(4-cyanophenyl)piperidin-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 86869299
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
3-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]propanoic acid
CID 43240526
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(3-cyanophenyl)-N-(2,6-dimethylcyclohexyl)prop-2-enamide
CID 78864161
(E)-3-(4-cyanophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 47128956
(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 115880739
4-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 6311508

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (CID 77109950) is 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is N#Cc1ccc(C=CC(=O)NC2CC(O)C2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The InChIKey is RYJDGSVDCAEBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-9-11-3-1-10(2-4-11)5-6-14(18)16-12-7-13(17)8-12/h1-6,12-13,17H,7-8H2,(H,16,18).
What are the key properties of 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is sourced from PubChem (CID 77109950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).