1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol

C10H19NO3 — CID 123724975

IUPAC1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol
SMILESCC(C)C1(O)CCC(C)(O)C(N=O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)10(13)5-4-9(3,12)8(6-10)11-14/h7-8,12-13H,4-6H2,1-3H3
InChIKeyFQQGZOCUARHMRY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol

1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol (PubChem CID 123724975) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol.

Molecular Properties

Compound Name1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol
PubChem CID123724975
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol
SMILESCC(C)C1(O)CCC(C)(O)C(N=O)C1
InChIInChI=1S/C10H19NO3/c1-7(2)10(13)5-4-9(3,12)8(6-10)11-14/h7-8,12-13H,4-6H2,1-3H3
InChIKeyFQQGZOCUARHMRY-UHFFFAOYSA-N
XLogP1.44
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol 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

(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
CID 67160199
4-methyl-5-nitroso-1-propan-2-ylcyclohex-2-ene-1,4-diol
CID 123642464
[(1R,4S,4aS,6S,8aR)-4,6-dihydroxy-4,8a-dimethyl-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-yl] acetate
CID 163082301
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373
2-methyl-4-propan-2-ylpiperidin-4-ol
CID 83815565
4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
CID 101417780
(1S,3R,4S)-4-methyl-1-propan-2-ylcyclohexane-1,3-diol
CID 130992035
3-amino-1-propan-2-ylcyclobutan-1-ol
CID 80561373
(2S)-2-[(3R,5R,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-3-propan-2-yl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propanal
CID 174288951
4-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carbonitrile
CID 159986095
3-propan-2-ylbicyclo[3.2.1]octan-3-ol
CID 140568777
7-propan-2-yl-2-thiaspiro[3.5]nonan-7-ol
CID 159986096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol?
The IUPAC name of 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol (CID 123724975) is 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol.
What is the SMILES notation for 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol?
The canonical SMILES for 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol is CC(C)C1(O)CCC(C)(O)C(N=O)C1.
What is the InChIKey of 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol?
The InChIKey is FQQGZOCUARHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)10(13)5-4-9(3,12)8(6-10)11-14/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol?
1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol has a molecular weight of 201.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nitroso-4-propan-2-ylcyclohexane-1,4-diol is sourced from PubChem (CID 123724975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).