(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene

C8H11NO — CID 163581000

IUPAC(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene
SMILESCC1=CC(N=O)=CC[C@@H]1C
InChIInChI=1S/C8H11NO/c1-6-3-4-8(9-10)5-7(6)2/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyGHNLEKABBPRTKP-LURJTMIESA-N
MW137.18 g/mol
LogP2.62
Rot. Bonds1

About (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene

(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene (PubChem CID 163581000) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene.

Molecular Properties

Compound Name(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene
PubChem CID163581000
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene
SMILESCC1=CC(N=O)=CC[C@@H]1C
InChIInChI=1S/C8H11NO/c1-6-3-4-8(9-10)5-7(6)2/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyGHNLEKABBPRTKP-LURJTMIESA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
CID 156650875
2-nitroso-5-propan-2-ylcyclohexa-1,3-diene
CID 121461064
(1Z,3Z)-1,5,8-trimethylcycloocta-1,3,5-triene
CID 145266562
4-chloro-1,6-dimethylcyclohexene
CID 143462672
4,5-dimethylcyclohept-3-ene-1-carbaldehyde
CID 143847275
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
(4S)-4-methylcyclobuten-1-amine
CID 164996658
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
2,3,6-trimethyl-3,4-dihydropyridine
CID 77393437
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
6-methyl-3-nitrocyclohexa-1,3-dien-1-amine
CID 88976723
5-bromo-4-methylcyclohexa-1,5-diene-1-carbonyl chloride
CID 123339926

Frequently Asked Questions

What is the IUPAC name of (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene?
The IUPAC name of (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene (CID 163581000) is (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene.
What is the SMILES notation for (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene?
The canonical SMILES for (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene is CC1=CC(N=O)=CC[C@@H]1C.
What is the InChIKey of (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene?
The InChIKey is GHNLEKABBPRTKP-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-8(9-10)5-7(6)2/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene?
(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene has a molecular weight of 137.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene is sourced from PubChem (CID 163581000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).