(Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium

C9H19N3O4 — CID 172942386

IUPAC(Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium
SMILESCCCCN(CCOC(=O)CC)/[N+]([O-])=N/O
InChIInChI=1S/C9H19N3O4/c1-3-5-6-11(12(15)10-14)7-8-16-9(13)4-2/h14H,3-8H2,1-2H3/b12-10-
InChIKeyYOJQFWWELMOQKK-BENRWUELSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds8

About (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium

(Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium (PubChem CID 172942386) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium
PubChem CID172942386
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name(Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium
SMILESCCCCN(CCOC(=O)CC)/[N+]([O-])=N/O
InChIInChI=1S/C9H19N3O4/c1-3-5-6-11(12(15)10-14)7-8-16-9(13)4-2/h14H,3-8H2,1-2H3/b12-10-
InChIKeyYOJQFWWELMOQKK-BENRWUELSA-N
XLogP1.31
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-aminobutyl-(3-hexadecoxy-3-oxopropyl)amino]-hydroxyimino-oxidoazanium
CID 136734254
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
pentyl propanoate;hydrofluoride
CID 174645674
2-hydroxyethyl propanoate;pentan-1-ol
CID 174862419
butyl acetate;butyl propanoate
CID 146454532
14-propanoyloxytetradecyl propanoate
CID 100931915
2-(diethylamino)ethyl pentanoate
CID 14795466
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757
octyl propanoate;propanoic acid
CID 87090257
2-tellanylethyl propanoate
CID 174440561
(dibutylamino) propanoate
CID 154448533
[(Z)-oct-3-enyl] propanoate
CID 20836326

Frequently Asked Questions

What is the IUPAC name of (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium?
The IUPAC name of (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium (CID 172942386) is (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium?
The canonical SMILES for (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium is CCCCN(CCOC(=O)CC)/[N+]([O-])=N/O.
What is the InChIKey of (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium?
The InChIKey is YOJQFWWELMOQKK-BENRWUELSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-3-5-6-11(12(15)10-14)7-8-16-9(13)4-2/h14H,3-8H2,1-2H3/b12-10-.
What are the key properties of (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium?
(Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium has a molecular weight of 233.27 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[butyl(2-propanoyloxyethyl)amino]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 172942386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).