1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone

C10H12NO+ — CID 123555746

IUPAC1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
SMILES[H]/N=C1\C=C(C)C(C(C)=O)=C(C)[CH+]1
InChIInChI=1S/C10H12NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5,11H,1-3H3/q+1
InChIKeyRGOJAFFJJCMUQR-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.08
Rot. Bonds1

About 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone

1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone (PubChem CID 123555746) has the molecular formula C10H12NO+ and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
PubChem CID123555746
Molecular FormulaC10H12NO+
Molecular Weight162.21 g/mol
Exact Mass162.09
IUPAC Name1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
SMILES[H]/N=C1\C=C(C)C(C(C)=O)=C(C)[CH+]1
InChIInChI=1S/C10H12NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5,11H,1-3H3/q+1
InChIKeyRGOJAFFJJCMUQR-UHFFFAOYSA-N
XLogP2.08
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethylquinoneimine
CID 150565
2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-
CID 3076715
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
Acetyl-p-benzoquinone imine
CID 57237125
6-Imino-4-methylcyclohexa-2,4-dien-1-one
CID 101512393
2-Ethyl-benzoquinone imine
CID 132277171
(E)-6-fluoro-4-imino-3-methylideneoct-5-en-2-one
CID 123392429
1-Imino-1-(3,6,8-trifluorocycloocta-1,5,7-trien-1-yl)propan-2-one
CID 163891911
3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 15291331
2-(6-Iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
CID 90755764
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
6-Imino-2,3,4,5-tetramethylcyclohexa-2,4-dien-1-one
CID 139249931

Frequently Asked Questions

What is the IUPAC name of 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
The IUPAC name of 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone (CID 123555746) is 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
The canonical SMILES for 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone is [H]/N=C1\C=C(C)C(C(C)=O)=C(C)[CH+]1.
What is the InChIKey of 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
The InChIKey is RGOJAFFJJCMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5,11H,1-3H3/q+1.
What are the key properties of 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone?
1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone has a molecular weight of 162.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone is sourced from PubChem (CID 123555746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).