2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide

C10H10N2O — CID 144575393

IUPAC2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide
SMILES[H]/N=C1\C=CC=C\C1=C\C(=C)C(N)=O
InChIInChI=1S/C10H10N2O/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-6,11H,1H2,(H2,12,13)/b8-6-,11-9+
InChIKeyVSLXMCHVZNYSQB-ZOEDNYEGSA-N
MW174.20 g/mol
LogP1.10
Rot. Bonds2

About 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide

2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide (PubChem CID 144575393) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide
PubChem CID144575393
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide
SMILES[H]/N=C1\C=CC=C\C1=C\C(=C)C(N)=O
InChIInChI=1S/C10H10N2O/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-6,11H,1H2,(H2,12,13)/b8-6-,11-9+
InChIKeyVSLXMCHVZNYSQB-ZOEDNYEGSA-N
XLogP1.10
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine
CID 118983670
(6Z)-6-[(ethylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 145330530
(6E)-6-(1-chloroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89086016
6-sulfonylcyclohexa-2,4-dien-1-imine
CID 141423215
cyclohexa-3,5-diene-1,2-diimine;(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 143547651
N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine
CID 143616734
2-(3-iminoinden-1-yl)-2-oxoacetamide
CID 89197620
6-benzhydrylidenecyclohexa-2,4-dien-1-imine
CID 135032177
2-aminoprop-2-enamide
CID 3332061
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]azanide);nickel(2+);toluene
CID 139127963
(E)-3-(6-imino-3-methylidenecyclohexa-1,4-dien-1-yl)prop-2-enoic acid
CID 89261226
6-imino-1-sulfanylcyclohexa-2,4-diene-1-carboxylic acid
CID 91385088

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide?
The IUPAC name of 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide (CID 144575393) is 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide.
What is the SMILES notation for 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide?
The canonical SMILES for 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide is [H]/N=C1\C=CC=C\C1=C\C(=C)C(N)=O.
What is the InChIKey of 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide?
The InChIKey is VSLXMCHVZNYSQB-ZOEDNYEGSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-6,11H,1H2,(H2,12,13)/b8-6-,11-9+.
What are the key properties of 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide?
2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide has a molecular weight of 174.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enamide is sourced from PubChem (CID 144575393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).