(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide

C11H16N2O7 — CID 153342466

IUPAC(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(C=O)=C\N(C=O)C1CCC(C(O)(O)O)O1
InChIInChI=1S/C11H16N2O7/c1-12-10(16)7(5-14)4-13(6-15)9-3-2-8(20-9)11(17,18)19/h4-6,8-9,17-19H,2-3H2,1H3,(H,12,16)/b7-4-
InChIKeyFOXXXHMFDIXQMH-DAXSKMNVSA-N
MW288.26 g/mol
LogP-2.59
Rot. Bonds6

About (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide

(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide (PubChem CID 153342466) has the molecular formula C11H16N2O7 and a molecular weight of 288.26 g/mol. Its IUPAC name is (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide
PubChem CID153342466
Molecular FormulaC11H16N2O7
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C(C=O)=C\N(C=O)C1CCC(C(O)(O)O)O1
InChIInChI=1S/C11H16N2O7/c1-12-10(16)7(5-14)4-13(6-15)9-3-2-8(20-9)11(17,18)19/h4-6,8-9,17-19H,2-3H2,1H3,(H,12,16)/b7-4-
InChIKeyFOXXXHMFDIXQMH-DAXSKMNVSA-N
XLogP-2.59
TPSA136.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
CID 142117800
methyl (Z)-4-[formyl-[5-(3-methylbutan-2-yl)oxolan-2-yl]amino]-3-(methylcarbamoyl)but-3-enoate
CID 146429654
[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
CID 177044439
[5-[formyl-[(Z)-2-(hydroxymethyl)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 2-aminoacetate;methanol;propane
CID 156804024
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(5-methyloxolan-2-yl)formamide;ethane
CID 143827400
CID 167504351
CID 167504351
1-[(E)-2-chloro-3-oxoprop-1-enyl]-1-[5-(hydroxymethyl)oxolan-2-yl]-3-methylurea;difluoromethane
CID 144900365
(E)-2-bromo-N-formyl-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enamide
CID 178018389
(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide
CID 42644716
(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
CID 142157976
N-methyl-2-(oxan-4-yl)prop-2-enamide
CID 165147105
N,N'-di((113C)methyl)oxamide
CID 169438737

Frequently Asked Questions

What is the IUPAC name of (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide (CID 153342466) is (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide is CNC(=O)/C(C=O)=C\N(C=O)C1CCC(C(O)(O)O)O1.
What is the InChIKey of (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide?
The InChIKey is FOXXXHMFDIXQMH-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H16N2O7/c1-12-10(16)7(5-14)4-13(6-15)9-3-2-8(20-9)11(17,18)19/h4-6,8-9,17-19H,2-3H2,1H3,(H,12,16)/b7-4-.
What are the key properties of (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide?
(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide has a molecular weight of 288.26 g/mol, XLogP of -2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide is sourced from PubChem (CID 153342466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).