(3-methylbenzoyl)azanium

C8H10NO+ — CID 153183849

IUPAC(3-methylbenzoyl)azanium
SMILESCc1cccc(C([NH3+])=O)c1
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)/p+1
InChIKeyWGRPQCFFBRDZFV-UHFFFAOYSA-O
MW136.17 g/mol
LogP0.38
Rot. Bonds1

About (3-methylbenzoyl)azanium

(3-methylbenzoyl)azanium (PubChem CID 153183849) has the molecular formula C8H10NO+ and a molecular weight of 136.17 g/mol. Its IUPAC name is (3-methylbenzoyl)azanium.

Molecular Properties

Compound Name(3-methylbenzoyl)azanium
PubChem CID153183849
Molecular FormulaC8H10NO+
Molecular Weight136.17 g/mol
Exact Mass136.08
IUPAC Name(3-methylbenzoyl)azanium
SMILESCc1cccc(C([NH3+])=O)c1
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)/p+1
InChIKeyWGRPQCFFBRDZFV-UHFFFAOYSA-O
XLogP0.38
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
3-methylbenzoic acid
CID 7418
3-methylbenzenecarboselenoic Se-acid
CID 166513879
CID 101297342
CID 101297342
gallium tris(3-methylbenzoate)
CID 22604030
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
3-methylbenzamide;2-methylpropane
CID 160767336
3-methylbenzoic acid;nitrous acid
CID 175097452
ethane;2-(3-methylphenyl)-2-oxoacetaldehyde
CID 90798157
(3-methylphenyl)-methylsulfinylmethanone
CID 87156160
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945

Frequently Asked Questions

What is the IUPAC name of (3-methylbenzoyl)azanium?
The IUPAC name of (3-methylbenzoyl)azanium (CID 153183849) is (3-methylbenzoyl)azanium.
What is the SMILES notation for (3-methylbenzoyl)azanium?
The canonical SMILES for (3-methylbenzoyl)azanium is Cc1cccc(C([NH3+])=O)c1.
What is the InChIKey of (3-methylbenzoyl)azanium?
The InChIKey is WGRPQCFFBRDZFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)/p+1.
What are the key properties of (3-methylbenzoyl)azanium?
(3-methylbenzoyl)azanium has a molecular weight of 136.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylbenzoyl)azanium is sourced from PubChem (CID 153183849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).