(N-acetylanilino)-ethyl-dihydroxyazanium

C10H15N2O3+ — CID 54332623

IUPAC(N-acetylanilino)-ethyl-dihydroxyazanium
SMILESCC[N+](O)(O)N(C(C)=O)c1ccccc1
InChIInChI=1S/C10H15N2O3/c1-3-12(14,15)11(9(2)13)10-7-5-4-6-8-10/h4-8,14-15H,3H2,1-2H3/q+1
InChIKeyPWCVLQAUWBXSAZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.57
Rot. Bonds3

About (N-acetylanilino)-ethyl-dihydroxyazanium

(N-acetylanilino)-ethyl-dihydroxyazanium (PubChem CID 54332623) has the molecular formula C10H15N2O3+ and a molecular weight of 211.24 g/mol. Its IUPAC name is (N-acetylanilino)-ethyl-dihydroxyazanium.

Molecular Properties

Compound Name(N-acetylanilino)-ethyl-dihydroxyazanium
PubChem CID54332623
Molecular FormulaC10H15N2O3+
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(N-acetylanilino)-ethyl-dihydroxyazanium
SMILESCC[N+](O)(O)N(C(C)=O)c1ccccc1
InChIInChI=1S/C10H15N2O3/c1-3-12(14,15)11(9(2)13)10-7-5-4-6-8-10/h4-8,14-15H,3H2,1-2H3/q+1
InChIKeyPWCVLQAUWBXSAZ-UHFFFAOYSA-N
XLogP1.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-acetylanilino)-ethyl-dihydroxyazanium?
The IUPAC name of (N-acetylanilino)-ethyl-dihydroxyazanium (CID 54332623) is (N-acetylanilino)-ethyl-dihydroxyazanium.
What is the SMILES notation for (N-acetylanilino)-ethyl-dihydroxyazanium?
The canonical SMILES for (N-acetylanilino)-ethyl-dihydroxyazanium is CC[N+](O)(O)N(C(C)=O)c1ccccc1.
What is the InChIKey of (N-acetylanilino)-ethyl-dihydroxyazanium?
The InChIKey is PWCVLQAUWBXSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O3/c1-3-12(14,15)11(9(2)13)10-7-5-4-6-8-10/h4-8,14-15H,3H2,1-2H3/q+1.
What are the key properties of (N-acetylanilino)-ethyl-dihydroxyazanium?
(N-acetylanilino)-ethyl-dihydroxyazanium has a molecular weight of 211.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-acetylanilino)-ethyl-dihydroxyazanium is sourced from PubChem (CID 54332623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).