[4-(methylamino)benzoyl]oxidanium

C8H10NO2+ — CID 20625574

IUPAC[4-(methylamino)benzoyl]oxidanium
SMILESCNc1ccc(C(=O)[OH2+])cc1
InChIInChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)/p+1
InChIKeyZVIDMSBTYRSMAR-UHFFFAOYSA-O
MW152.17 g/mol
LogP0.59
Rot. Bonds2

About [4-(methylamino)benzoyl]oxidanium

[4-(methylamino)benzoyl]oxidanium (PubChem CID 20625574) has the molecular formula C8H10NO2+ and a molecular weight of 152.17 g/mol. Its IUPAC name is [4-(methylamino)benzoyl]oxidanium.

Molecular Properties

Compound Name[4-(methylamino)benzoyl]oxidanium
PubChem CID20625574
Molecular FormulaC8H10NO2+
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name[4-(methylamino)benzoyl]oxidanium
SMILESCNc1ccc(C(=O)[OH2+])cc1
InChIInChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)/p+1
InChIKeyZVIDMSBTYRSMAR-UHFFFAOYSA-O
XLogP0.59
TPSA52.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
3-[4-(methylamino)phenyl]-3-oxopropanenitrile
CID 156767557
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
CID 21400968
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-methyl-4-(methylamino)-N-propan-2-ylbenzamide
CID 62166180
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
N-(3-ethylpentan-3-yl)-4-(methylamino)benzamide
CID 65042626
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)benzoyl]oxidanium?
The IUPAC name of [4-(methylamino)benzoyl]oxidanium (CID 20625574) is [4-(methylamino)benzoyl]oxidanium.
What is the SMILES notation for [4-(methylamino)benzoyl]oxidanium?
The canonical SMILES for [4-(methylamino)benzoyl]oxidanium is CNc1ccc(C(=O)[OH2+])cc1.
What is the InChIKey of [4-(methylamino)benzoyl]oxidanium?
The InChIKey is ZVIDMSBTYRSMAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)/p+1.
What are the key properties of [4-(methylamino)benzoyl]oxidanium?
[4-(methylamino)benzoyl]oxidanium has a molecular weight of 152.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)benzoyl]oxidanium is sourced from PubChem (CID 20625574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).