N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide

C12H15NO2 — CID 169465046

IUPACN-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(CO)c1
InChIInChI=1S/C12H15NO2/c1-10(15)13-7-3-6-11-4-2-5-12(8-11)9-14/h2-6,8,14H,7,9H2,1H3,(H,13,15)
InChIKeySWHQWIXXUHHJBA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds4

About N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide

N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169465046) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169465046
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(CO)c1
InChIInChI=1S/C12H15NO2/c1-10(15)13-7-3-6-11-4-2-5-12(8-11)9-14/h2-6,8,14H,7,9H2,1H3,(H,13,15)
InChIKeySWHQWIXXUHHJBA-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
CID 169465196
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 150777752
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
CID 169465372
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
tert-butyl N-[4-[3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490056
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide (CID 169465046) is N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(CO)c1.
What is the InChIKey of N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is SWHQWIXXUHHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(15)13-7-3-6-11-4-2-5-12(8-11)9-14/h2-6,8,14H,7,9H2,1H3,(H,13,15).
What are the key properties of N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).