2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide

C7H12N2O2 — CID 137205830

IUPAC2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide
SMILES[H]/N=C(\C)C(C(=O)NC)=C(C)O
InChIInChI=1S/C7H12N2O2/c1-4(8)6(5(2)10)7(11)9-3/h8,10H,1-3H3,(H,9,11)/b6-5?,8-4+
InChIKeyGVTQAWOUMWOBAJ-KEFBPMMISA-N
MW156.19 g/mol
LogP0.60
Rot. Bonds2

About 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide

2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide (PubChem CID 137205830) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide
PubChem CID137205830
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide
SMILES[H]/N=C(\C)C(C(=O)NC)=C(C)O
InChIInChI=1S/C7H12N2O2/c1-4(8)6(5(2)10)7(11)9-3/h8,10H,1-3H3,(H,9,11)/b6-5?,8-4+
InChIKeyGVTQAWOUMWOBAJ-KEFBPMMISA-N
XLogP0.60
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135420610
methyl (Z)-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135482629
methyl 2-(methylamino)-2-oxoethanimidate
CID 19391257
N,N'-di((113C)methyl)oxamide
CID 169438737
3-iminobutan-2-one;hydrochloride
CID 91594122
ethyl (E)-4,4,4-trideuterio-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135957281
methyl (2Z)-2-(1-hydroxyethylidene)-3-imino-4-methylpent-4-enoate
CID 177445289
1-ethanimidoyl-3-methylurea
CID 152774406
3,5-dihydroxy-N,6,6-trimethyl-2-propanimidoylhept-2-enamide
CID 173446881
(2E)-2-[[4-(dimethylamino)phenyl]-hydroxymethylidene]-3-iminobutanoic acid
CID 143383401
methyl (Z)-3-hydroxy-2-(2,2,2-trifluoroethanimidoyl)but-2-enoate
CID 171703353
2-ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
CID 176553349

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide?
The IUPAC name of 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide (CID 137205830) is 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide is [H]/N=C(\C)C(C(=O)NC)=C(C)O.
What is the InChIKey of 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide?
The InChIKey is GVTQAWOUMWOBAJ-KEFBPMMISA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(8)6(5(2)10)7(11)9-3/h8,10H,1-3H3,(H,9,11)/b6-5?,8-4+.
What are the key properties of 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide?
2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide has a molecular weight of 156.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-3-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 137205830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).