(2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide

C10H14N3O2+ — CID 6401318

IUPAC(2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide
SMILESC/C(=N/O)C(=O)NCc1ccc[n+](C)c1
InChIInChI=1S/C10H13N3O2/c1-8(12-15)10(14)11-6-9-4-3-5-13(2)7-9/h3-5,7H,6H2,1-2H3,(H-,11,14,15)/p+1
InChIKeyIPKVYPQYMUBRKE-UHFFFAOYSA-O
MW208.24 g/mol
LogP-0.02
Rot. Bonds3

About (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide

(2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide (PubChem CID 6401318) has the molecular formula C10H14N3O2+ and a molecular weight of 208.24 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide
PubChem CID6401318
Molecular FormulaC10H14N3O2+
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name(2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide
SMILESC/C(=N/O)C(=O)NCc1ccc[n+](C)c1
InChIInChI=1S/C10H13N3O2/c1-8(12-15)10(14)11-6-9-4-3-5-13(2)7-9/h3-5,7H,6H2,1-2H3,(H-,11,14,15)/p+1
InChIKeyIPKVYPQYMUBRKE-UHFFFAOYSA-O
XLogP-0.02
TPSA65.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-methylpyridin-1-ium-3-yl)butan-2-one
CID 59745061
(2S)-2-amino-3-(1-methylpyridin-1-ium-3-yl)propanoic acid
CID 5289207
N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine
CID 152858775
1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide
CID 13473407
(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
CID 54606207
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
2-(1-methylpyridin-1-ium-3-yl)ethanesulfonic acid
CID 58913237
4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide
CID 19014684
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl acetate
CID 138705846
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
methyl 4-[3-(benzylamino)-2,3-dioxopropanehydrazonoyl]benzoate
CID 20981911

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide (CID 6401318) is (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide is C/C(=N/O)C(=O)NCc1ccc[n+](C)c1.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide?
The InChIKey is IPKVYPQYMUBRKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3O2/c1-8(12-15)10(14)11-6-9-4-3-5-13(2)7-9/h3-5,7H,6H2,1-2H3,(H-,11,14,15)/p+1.
What are the key properties of (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide?
(2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide has a molecular weight of 208.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[(1-methylpyridin-1-ium-3-yl)methyl]propanamide is sourced from PubChem (CID 6401318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).