2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide

C9H17N3O2 — CID 143252264

IUPAC2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide
SMILESC/N=C/N/C=C/CNC(=O)C(C)(C)O
InChIInChI=1S/C9H17N3O2/c1-9(2,14)8(13)12-6-4-5-11-7-10-3/h4-5,7,14H,6H2,1-3H3,(H,10,11)(H,12,13)/b5-4+
InChIKeyHDTDTQXIYFCOND-SNAWJCMRSA-N
MW199.25 g/mol
LogP-0.37
Rot. Bonds5

About 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide

2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide (PubChem CID 143252264) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide
PubChem CID143252264
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide
SMILESC/N=C/N/C=C/CNC(=O)C(C)(C)O
InChIInChI=1S/C9H17N3O2/c1-9(2,14)8(13)12-6-4-5-11-7-10-3/h4-5,7,14H,6H2,1-3H3,(H,10,11)(H,12,13)/b5-4+
InChIKeyHDTDTQXIYFCOND-SNAWJCMRSA-N
XLogP-0.37
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide
CID 143252203
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
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2-hydroxy-2-methyl-N-(2,2,3,3-tetramethylbutyl)propanamide
CID 115179030
2-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 103430628
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
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2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395
2-hydroxy-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]propanamide
CID 107299483
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane
CID 178010245
2-hydroxy-2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 106509809
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide
CID 21397036

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide (CID 143252264) is 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide is C/N=C/N/C=C/CNC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide?
The InChIKey is HDTDTQXIYFCOND-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,14)8(13)12-6-4-5-11-7-10-3/h4-5,7,14H,6H2,1-3H3,(H,10,11)(H,12,13)/b5-4+.
What are the key properties of 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide?
2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[(E)-3-(methyliminomethylamino)prop-2-enyl]propanamide is sourced from PubChem (CID 143252264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).