(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide

C7H11NO2 — CID 90230508

IUPAC(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide
SMILESC=CC/C=C(/CO)C(N)=O
InChIInChI=1S/C7H11NO2/c1-2-3-4-6(5-9)7(8)10/h2,4,9H,1,3,5H2,(H2,8,10)/b6-4-
InChIKeyFZBQHOHAOQNJGO-XQRVVYSFSA-N
MW141.17 g/mol
LogP-0.03
Rot. Bonds4

About (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide

(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide (PubChem CID 90230508) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide.

Molecular Properties

Compound Name(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide
PubChem CID90230508
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide
SMILESC=CC/C=C(/CO)C(N)=O
InChIInChI=1S/C7H11NO2/c1-2-3-4-6(5-9)7(8)10/h2,4,9H,1,3,5H2,(H2,8,10)/b6-4-
InChIKeyFZBQHOHAOQNJGO-XQRVVYSFSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide?
The IUPAC name of (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide (CID 90230508) is (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide.
What is the SMILES notation for (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide?
The canonical SMILES for (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide is C=CC/C=C(/CO)C(N)=O.
What is the InChIKey of (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide?
The InChIKey is FZBQHOHAOQNJGO-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-6(5-9)7(8)10/h2,4,9H,1,3,5H2,(H2,8,10)/b6-4-.
What are the key properties of (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide?
(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide has a molecular weight of 141.17 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(hydroxymethyl)hexa-2,5-dienamide is sourced from PubChem (CID 90230508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).