N-(hydroxymethyl)hexa-2,4-dienamide

C7H11NO2 — CID 54573158

IUPACN-(hydroxymethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCO
InChIInChI=1S/C7H11NO2/c1-2-3-4-5-7(10)8-6-9/h2-5,9H,6H2,1H3,(H,8,10)
InChIKeyZYSVFFGRUZUXCT-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.18
Rot. Bonds3

About N-(hydroxymethyl)hexa-2,4-dienamide

N-(hydroxymethyl)hexa-2,4-dienamide (PubChem CID 54573158) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(hydroxymethyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(hydroxymethyl)hexa-2,4-dienamide
PubChem CID54573158
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(hydroxymethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCO
InChIInChI=1S/C7H11NO2/c1-2-3-4-5-7(10)8-6-9/h2-5,9H,6H2,1H3,(H,8,10)
InChIKeyZYSVFFGRUZUXCT-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-Methylolacrylamide
CID 13543
(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide
CID 13405142
N-Methylsorbamide
CID 14364541
cis-3-hydroxy-N-methyl crotonamide
CID 19431107
AM N-Mam
CID 20242818
N-(hydroxymethyl)but-2-enamide
CID 54208176
(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide
CID 134844845
(2E,4E)-N,N'-dimethylhexa-2,4-dienediamide
CID 131242845
N-methylpenta-2,4-dienamide
CID 3384152
(2E)-N-methylpenta-2,4-dienamide
CID 5810429
(2E,4E)-N-(hydroxymethyl)hexa-2,4-dienamide
CID 20456429
N-(hydroxymethyl)prop-2-enamide;N-methylprop-2-enamide
CID 20534966

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)hexa-2,4-dienamide?
The IUPAC name of N-(hydroxymethyl)hexa-2,4-dienamide (CID 54573158) is N-(hydroxymethyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(hydroxymethyl)hexa-2,4-dienamide?
The canonical SMILES for N-(hydroxymethyl)hexa-2,4-dienamide is CC=CC=CC(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)hexa-2,4-dienamide?
The InChIKey is ZYSVFFGRUZUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-5-7(10)8-6-9/h2-5,9H,6H2,1H3,(H,8,10).
What are the key properties of N-(hydroxymethyl)hexa-2,4-dienamide?
N-(hydroxymethyl)hexa-2,4-dienamide has a molecular weight of 141.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)hexa-2,4-dienamide is sourced from PubChem (CID 54573158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).