(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

C7H10N3O4+ — CID 11790186

IUPAC(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
SMILESCO/C(O)=C(\[N+]#N)C(=O)N(C)C(C)=O
InChIInChI=1S/C7H9N3O4/c1-4(11)10(2)6(12)5(9-8)7(13)14-3/h1-3H3/p+1
InChIKeyVVVQHXBNNFWXCW-UHFFFAOYSA-O
MW200.17 g/mol
LogP0.22
Rot. Bonds2

About (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium (PubChem CID 11790186) has the molecular formula C7H10N3O4+ and a molecular weight of 200.17 g/mol. Its IUPAC name is (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium.

Molecular Properties

Compound Name(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
PubChem CID11790186
Molecular FormulaC7H10N3O4+
Molecular Weight200.17 g/mol
Exact Mass200.07
IUPAC Name(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
SMILESCO/C(O)=C(\[N+]#N)C(=O)N(C)C(C)=O
InChIInChI=1S/C7H9N3O4/c1-4(11)10(2)6(12)5(9-8)7(13)14-3/h1-3H3/p+1
InChIKeyVVVQHXBNNFWXCW-UHFFFAOYSA-O
XLogP0.22
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-hydroxy-1-methoxy-3-(4-methoxy-4-oxobut-2-ynoxy)-3-oxoprop-1-ene-2-diazonium
CID 11096708
(E)-3-hydroxy-1-(2-methoxy-2-oxoethoxy)-1-oxobut-2-ene-2-diazonium
CID 54683704
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
bis(N,N-dimethylacetamide);methyl acetate;propan-2-one
CID 161062659
N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide
CID 176792939
methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
CID 15971438
[cyano(methyl)amino] methyl carbonate
CID 89283667
methyl hydrogen carbonate;propan-2-one
CID 157174234
deuteride;methyl acetate;hydrate
CID 160772266
methyl acetate;ruthenium
CID 160799101
N-but-2-en-2-yl-N-methylacetamide
CID 123872311
acetic acid;ruthenium
CID 175502908

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?
The IUPAC name of (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium (CID 11790186) is (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium.
What is the SMILES notation for (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?
The canonical SMILES for (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium is CO/C(O)=C(\[N+]#N)C(=O)N(C)C(C)=O.
What is the InChIKey of (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?
The InChIKey is VVVQHXBNNFWXCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3O4/c1-4(11)10(2)6(12)5(9-8)7(13)14-3/h1-3H3/p+1.
What are the key properties of (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?
(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium has a molecular weight of 200.17 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium is sourced from PubChem (CID 11790186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).