(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium

C8H13NO — CID 140980510

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
SMILESCC1C=CC=CC1(C)[NH2+][O-]
InChIInChI=1S/C8H13NO/c1-7-5-3-4-6-8(7,2)9-10/h3-7H,9H2,1-2H3
InChIKeyXJYUPFQCPWUAFH-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.57
Rot. Bonds1

About (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium

(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium (PubChem CID 140980510) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
PubChem CID140980510
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
SMILESCC1C=CC=CC1(C)[NH2+][O-]
InChIInChI=1S/C8H13NO/c1-7-5-3-4-6-8(7,2)9-10/h3-7H,9H2,1-2H3
InChIKeyXJYUPFQCPWUAFH-UHFFFAOYSA-N
XLogP0.57
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141115127
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
calcium;bis(1,6-dimethylcyclohexa-2,4-diene-1-sulfonate);hydrate
CID 140991949
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
CID 141380218
1,6-dimethylcyclohexa-2,4-diene-1-sulfonate;tetramethylazanium
CID 155713195
zinc (1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141081758
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylsulfonylsulfonylsulfonyl-5,6-dimethylcyclohexa-1,3-diene
CID 141143563
(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
chloro-(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanamine
CID 67656494
2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 97049712

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium (CID 140980510) is (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium is CC1C=CC=CC1(C)[NH2+][O-].
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
The InChIKey is XJYUPFQCPWUAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-5-3-4-6-8(7,2)9-10/h3-7H,9H2,1-2H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium?
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium has a molecular weight of 139.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium is sourced from PubChem (CID 140980510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).