(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide

C10H13NO2 — CID 162333349

IUPAC(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
SMILESC=C(C)c1c(C)cccc1[NH+]=O.[OH-]
InChIInChI=1S/C10H11NO.H2O/c1-7(2)10-8(3)5-4-6-9(10)11-12;/h4-6H,1H2,2-3H3;1H2
InChIKeyIOYMJVFFAWDZHE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds2

About (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide

(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide (PubChem CID 162333349) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide.

Molecular Properties

Compound Name(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
PubChem CID162333349
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
SMILESC=C(C)c1c(C)cccc1[NH+]=O.[OH-]
InChIInChI=1S/C10H11NO.H2O/c1-7(2)10-8(3)5-4-6-9(10)11-12;/h4-6H,1H2,2-3H3;1H2
InChIKeyIOYMJVFFAWDZHE-UHFFFAOYSA-N
XLogP1.33
TPSA61.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide 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

(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
CID 162311722
1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
CID 144517802
2,6-dimethylbenzoyl fluoride
CID 23235034
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
2-methyl-1-prop-1-en-2-ylnaphthalene
CID 123573503
1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene
CID 144558662
1-(2-isocyanatopropan-2-yl)-3-methyl-2-prop-1-en-2-ylbenzene
CID 141253273
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
CID 174000600

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
The IUPAC name of (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide (CID 162333349) is (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide.
What is the SMILES notation for (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
The canonical SMILES for (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide is C=C(C)c1c(C)cccc1[NH+]=O.[OH-].
What is the InChIKey of (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
The InChIKey is IOYMJVFFAWDZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.H2O/c1-7(2)10-8(3)5-4-6-9(10)11-12;/h4-6H,1H2,2-3H3;1H2.
What are the key properties of (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide?
(3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide has a molecular weight of 179.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide is sourced from PubChem (CID 162333349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).