N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide

C11H13NO2 — CID 131998308

IUPACN-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide
SMILESCC(=O)N/C=C/c1ccc(CO)cc1
InChIInChI=1S/C11H13NO2/c1-9(14)12-7-6-10-2-4-11(8-13)5-3-10/h2-7,13H,8H2,1H3,(H,12,14)/b7-6+
InChIKeyNWRORDSQPSYKPG-VOTSOKGWSA-N
MW191.23 g/mol
LogP1.29
Rot. Bonds3

About N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide

N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide (PubChem CID 131998308) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide
PubChem CID131998308
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide
SMILESCC(=O)N/C=C/c1ccc(CO)cc1
InChIInChI=1S/C11H13NO2/c1-9(14)12-7-6-10-2-4-11(8-13)5-3-10/h2-7,13H,8H2,1H3,(H,12,14)/b7-6+
InChIKeyNWRORDSQPSYKPG-VOTSOKGWSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2-(4-hydroxyphenyl)ethenyl]acetamide
CID 21422510
N-(2-phenylethenyl)acetamide
CID 54032077
(4-prop-1-enylphenyl)methanol
CID 67711719
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
CID 51521239
S-[4-[4-(hydroxymethyl)phenyl]but-3-enyl] ethanethioate
CID 170479705
N-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]acetamide
CID 21422515
3-[4-(hydroxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 67022405
4-[4-(hydroxymethyl)phenyl]but-3-enoic acid
CID 170483181
tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549
methyl 3-[4-(hydroxymethyl)phenyl]prop-2-eneperoxoate
CID 89277530
(E)-4-[4-(hydroxymethyl)phenyl]but-3-en-2-one;(1E,4E)-1-[4-(hydroxymethyl)phenyl]-5-phenylpenta-1,4-dien-3-one;propan-2-one
CID 160610282

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide?
The IUPAC name of N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide (CID 131998308) is N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide.
What is the SMILES notation for N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide?
The canonical SMILES for N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide is CC(=O)N/C=C/c1ccc(CO)cc1.
What is the InChIKey of N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide?
The InChIKey is NWRORDSQPSYKPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(14)12-7-6-10-2-4-11(8-13)5-3-10/h2-7,13H,8H2,1H3,(H,12,14)/b7-6+.
What are the key properties of N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide?
N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide has a molecular weight of 191.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]acetamide is sourced from PubChem (CID 131998308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).