N-[3-(hydroxymethyl)phenyl]but-3-enamide

C11H13NO2 — CID 62678719

IUPACN-[3-(hydroxymethyl)phenyl]but-3-enamide
SMILESC=CCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H13NO2/c1-2-4-11(14)12-10-6-3-5-9(7-10)8-13/h2-3,5-7,13H,1,4,8H2,(H,12,14)
InChIKeyZEAIOUADCWAHTD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]but-3-enamide

N-[3-(hydroxymethyl)phenyl]but-3-enamide (PubChem CID 62678719) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]but-3-enamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]but-3-enamide
PubChem CID62678719
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[3-(hydroxymethyl)phenyl]but-3-enamide
SMILESC=CCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H13NO2/c1-2-4-11(14)12-10-6-3-5-9(7-10)8-13/h2-3,5-7,13H,1,4,8H2,(H,12,14)
InChIKeyZEAIOUADCWAHTD-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
(E)-N-[3-(hydroxymethyl)phenyl]but-2-enamide
CID 60630094
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
2-[2-(aminomethyl)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 81318026
(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
CID 111437309
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]but-3-enamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]but-3-enamide (CID 62678719) is N-[3-(hydroxymethyl)phenyl]but-3-enamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]but-3-enamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]but-3-enamide is C=CCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]but-3-enamide?
The InChIKey is ZEAIOUADCWAHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-11(14)12-10-6-3-5-9(7-10)8-13/h2-3,5-7,13H,1,4,8H2,(H,12,14).
What are the key properties of N-[3-(hydroxymethyl)phenyl]but-3-enamide?
N-[3-(hydroxymethyl)phenyl]but-3-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]but-3-enamide is sourced from PubChem (CID 62678719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).