2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide

C8H10N2O — CID 22716504

IUPAC2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide
SMILES[H]/N=C1/C=CC(CC(N)=O)=CC1
InChIInChI=1S/C8H10N2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-3,9H,4-5H2,(H2,10,11)/b9-7-
InChIKeyRTTHUUUDEYCWIW-CLFYSBASSA-N
MW150.18 g/mol
LogP0.77
Rot. Bonds2

About 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide

2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 22716504) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID22716504
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide
SMILES[H]/N=C1/C=CC(CC(N)=O)=CC1
InChIInChI=1S/C8H10N2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-3,9H,4-5H2,(H2,10,11)/b9-7-
InChIKeyRTTHUUUDEYCWIW-CLFYSBASSA-N
XLogP0.77
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Diazocyclohexa-2,4-diene-1-carboxamide
CID 88799553
4-Cyclohexa-1,3-dien-1-yl-4-iminobutanamide
CID 90949307
3-Cyclohexa-1,5-dien-1-yl-3-iminopropanamide
CID 123319684
Acetyl-(3-methylcyclohexa-2,4-dien-1-ylidene)azanium
CID 123751970
(3Z)-2-imino-6-methylhepta-3,5-dienamide
CID 126540319
2-[(4Z)-4-ethylidene-3-imino-2-methylcyclohexa-1,5-dien-1-yl]prop-2-enamide
CID 144398843
(Z)-4-cyclohexa-1,5-dien-1-yl-4-iminobut-2-enamide;molecular hydrogen
CID 145459185
(6Z)-5-iminonona-6,8-dienamide
CID 143198423
2-(3,4-Diiminocyclohexa-1,5-dien-1-yl)acetaldehyde
CID 143410299
(4E)-4-ethenyl-2,3-diiminohepta-4,6-dienamide
CID 143438356
2-[(3Z)-3-ethylidene-4-methyliminocyclohexa-1,5-dien-1-yl]acetamide
CID 144161418
2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide
CID 144575393

Frequently Asked Questions

What is the IUPAC name of 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide (CID 22716504) is 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide is [H]/N=C1/C=CC(CC(N)=O)=CC1.
What is the InChIKey of 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is RTTHUUUDEYCWIW-CLFYSBASSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-3,9H,4-5H2,(H2,10,11)/b9-7-.
What are the key properties of 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide?
2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 150.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iminocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 22716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).