1,3,3-trimethyl-6-nitrosocyclohexene

C9H15NO — CID 56626859

IUPAC1,3,3-trimethyl-6-nitrosocyclohexene
SMILESCC1=CC(C)(C)CCC1N=O
InChIInChI=1S/C9H15NO/c1-7-6-9(2,3)5-4-8(7)10-11/h6,8H,4-5H2,1-3H3
InChIKeyZWRBURWYQCYPHT-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.89
Rot. Bonds1

About 1,3,3-trimethyl-6-nitrosocyclohexene

1,3,3-trimethyl-6-nitrosocyclohexene (PubChem CID 56626859) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-nitrosocyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-6-nitrosocyclohexene
PubChem CID56626859
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,3,3-trimethyl-6-nitrosocyclohexene
SMILESCC1=CC(C)(C)CCC1N=O
InChIInChI=1S/C9H15NO/c1-7-6-9(2,3)5-4-8(7)10-11/h6,8H,4-5H2,1-3H3
InChIKeyZWRBURWYQCYPHT-UHFFFAOYSA-N
XLogP2.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 176917622
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2-(2,4,4-trimethylcyclohex-2-en-1-yl)but-3-yn-2-ol
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(2,4,4-trimethylcyclohex-2-en-1-yl)methyl butanoate
CID 91664368
3-(1-methoxypropan-2-ylsulfanyl)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)butan-1-one
CID 170568152
tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane
CID 11729936
(1S,4R)-2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 173324506
1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde
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methyl 2-(6-hydroxy-3,3-dimethylcyclohexen-1-yl)-2-methylpropanoate
CID 10489438
(1S,4S)-1-tert-butyl-5-methylbicyclo[2.2.2]oct-5-en-2-one
CID 134987387
(4aS,8aR)-4a,6-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-one
CID 11535664
(1S,2S,5S)-1-methoxy-2,4-dimethylbicyclo[3.2.1]oct-3-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-nitrosocyclohexene?
The IUPAC name of 1,3,3-trimethyl-6-nitrosocyclohexene (CID 56626859) is 1,3,3-trimethyl-6-nitrosocyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-6-nitrosocyclohexene?
The canonical SMILES for 1,3,3-trimethyl-6-nitrosocyclohexene is CC1=CC(C)(C)CCC1N=O.
What is the InChIKey of 1,3,3-trimethyl-6-nitrosocyclohexene?
The InChIKey is ZWRBURWYQCYPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-9(2,3)5-4-8(7)10-11/h6,8H,4-5H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-6-nitrosocyclohexene?
1,3,3-trimethyl-6-nitrosocyclohexene has a molecular weight of 153.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-nitrosocyclohexene is sourced from PubChem (CID 56626859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).