methyl-oxo-(4-propan-2-ylphenyl)azanium

C10H14NO+ — CID 167560461

IUPACmethyl-oxo-(4-propan-2-ylphenyl)azanium
SMILESCC(C)c1ccc([N+](C)=O)cc1
InChIInChI=1S/C10H14NO/c1-8(2)9-4-6-10(7-5-9)11(3)12/h4-8H,1-3H3/q+1
InChIKeyAHPXVKHRHZFATG-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.85
Rot. Bonds2

About methyl-oxo-(4-propan-2-ylphenyl)azanium

methyl-oxo-(4-propan-2-ylphenyl)azanium (PubChem CID 167560461) has the molecular formula C10H14NO+ and a molecular weight of 164.23 g/mol. Its IUPAC name is methyl-oxo-(4-propan-2-ylphenyl)azanium.

Molecular Properties

Compound Namemethyl-oxo-(4-propan-2-ylphenyl)azanium
PubChem CID167560461
Molecular FormulaC10H14NO+
Molecular Weight164.23 g/mol
Exact Mass164.11
IUPAC Namemethyl-oxo-(4-propan-2-ylphenyl)azanium
SMILESCC(C)c1ccc([N+](C)=O)cc1
InChIInChI=1S/C10H14NO/c1-8(2)9-4-6-10(7-5-9)11(3)12/h4-8H,1-3H3/q+1
InChIKeyAHPXVKHRHZFATG-UHFFFAOYSA-N
XLogP2.85
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene
CID 178123013
1-nitro-4-propan-2-ylbenzene;propanoic acid
CID 162240103
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
CID 174326985
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
1-[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-4-nitrobenzene
CID 63518674
(4-propan-2-ylphenyl) 4-nitrobenzenesulfonate
CID 26944189
4-propan-2-ylbenzaldehyde
CID 326
1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
CID 54050857
lithium propan-2-ylbenzene
CID 13144758
propan-2-ylbenzene;tungsten
CID 58901967
CID 145383869
CID 145383869

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-(4-propan-2-ylphenyl)azanium?
The IUPAC name of methyl-oxo-(4-propan-2-ylphenyl)azanium (CID 167560461) is methyl-oxo-(4-propan-2-ylphenyl)azanium.
What is the SMILES notation for methyl-oxo-(4-propan-2-ylphenyl)azanium?
The canonical SMILES for methyl-oxo-(4-propan-2-ylphenyl)azanium is CC(C)c1ccc([N+](C)=O)cc1.
What is the InChIKey of methyl-oxo-(4-propan-2-ylphenyl)azanium?
The InChIKey is AHPXVKHRHZFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO/c1-8(2)9-4-6-10(7-5-9)11(3)12/h4-8H,1-3H3/q+1.
What are the key properties of methyl-oxo-(4-propan-2-ylphenyl)azanium?
methyl-oxo-(4-propan-2-ylphenyl)azanium has a molecular weight of 164.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(4-propan-2-ylphenyl)azanium is sourced from PubChem (CID 167560461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).