1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol

C8H11NO2 — CID 150174647

IUPAC1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol
SMILESCC1C=C(N=O)C=CC1(C)O
InChIInChI=1S/C8H11NO2/c1-6-5-7(9-11)3-4-8(6,2)10/h3-6,10H,1-2H3
InChIKeyFKDPHYNQLRYLRN-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.59
Rot. Bonds1

About 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol

1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol (PubChem CID 150174647) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol
PubChem CID150174647
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol
SMILESCC1C=C(N=O)C=CC1(C)O
InChIInChI=1S/C8H11NO2/c1-6-5-7(9-11)3-4-8(6,2)10/h3-6,10H,1-2H3
InChIKeyFKDPHYNQLRYLRN-UHFFFAOYSA-N
XLogP1.59
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol (CID 150174647) is 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol is CC1C=C(N=O)C=CC1(C)O.
What is the InChIKey of 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol?
The InChIKey is FKDPHYNQLRYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-5-7(9-11)3-4-8(6,2)10/h3-6,10H,1-2H3.
What are the key properties of 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol?
1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol has a molecular weight of 153.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-nitrosocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150174647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).