(2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide

C11H22N3O3+ — CID 6411092

IUPAC(2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide
SMILESC/C(=N/O)C(=O)NCCC[N+]1(C)CCOCC1
InChIInChI=1S/C11H21N3O3/c1-10(13-16)11(15)12-4-3-5-14(2)6-8-17-9-7-14/h3-9H2,1-2H3,(H-,12,15,16)/p+1
InChIKeyZMVUYUKMDLJEAL-UHFFFAOYSA-O
MW244.31 g/mol
LogP-0.18
Rot. Bonds5

About (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide

(2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide (PubChem CID 6411092) has the molecular formula C11H22N3O3+ and a molecular weight of 244.31 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide
PubChem CID6411092
Molecular FormulaC11H22N3O3+
Molecular Weight244.31 g/mol
Exact Mass244.17
IUPAC Name(2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide
SMILESC/C(=N/O)C(=O)NCCC[N+]1(C)CCOCC1
InChIInChI=1S/C11H21N3O3/c1-10(13-16)11(15)12-4-3-5-14(2)6-8-17-9-7-14/h3-9H2,1-2H3,(H-,12,15,16)/p+1
InChIKeyZMVUYUKMDLJEAL-UHFFFAOYSA-O
XLogP-0.18
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'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 (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide (CID 6411092) is (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide is C/C(=N/O)C(=O)NCCC[N+]1(C)CCOCC1.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide?
The InChIKey is ZMVUYUKMDLJEAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O3/c1-10(13-16)11(15)12-4-3-5-14(2)6-8-17-9-7-14/h3-9H2,1-2H3,(H-,12,15,16)/p+1.
What are the key properties of (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide?
(2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide has a molecular weight of 244.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]propanamide is sourced from PubChem (CID 6411092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).