2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal

C10H19NO7 — CID 87645451

IUPAC2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESC=C(C)C(N)=O.O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O6.C4H7NO/c7-1-3(9)5(11)6(12)4(10)2-8;1-3(2)4(5)6/h1,3-6,8-12H,2H2;1H2,2H3,(H2,5,6)/t3-,4+,5-,6-;/m0./s1
InChIKeyJZUVEANEMAWHQG-WBHXJHRCSA-N
MW265.26 g/mol
LogP-3.33
Rot. Bonds6

About 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal

2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 87645451) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID87645451
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Name2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILESC=C(C)C(N)=O.O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O6.C4H7NO/c7-1-3(9)5(11)6(12)4(10)2-8;1-3(2)4(5)6/h1,3-6,8-12H,2H2;1H2,2H3,(H2,5,6)/t3-,4+,5-,6-;/m0./s1
InChIKeyJZUVEANEMAWHQG-WBHXJHRCSA-N
XLogP-3.33
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.26
LogP ≤ 5-3.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylprop-2-enoic acid);2,3,4,5,6-pentahydroxyhexanal
CID 174462033
formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea
CID 175597940
acetic acid;azane;2,3,4,5,6-pentahydroxyhexanal
CID 174736438
acetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 173049059
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;prop-2-enamide
CID 87645224
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;prop-2-enamide
CID 87644411
azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;acetate
CID 87881903
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal (CID 87645451) is 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal is C=C(C)C(N)=O.O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is JZUVEANEMAWHQG-WBHXJHRCSA-N. The full InChI is InChI=1S/C6H12O6.C4H7NO/c7-1-3(9)5(11)6(12)4(10)2-8;1-3(2)4(5)6/h1,3-6,8-12H,2H2;1H2,2H3,(H2,5,6)/t3-,4+,5-,6-;/m0./s1.
What are the key properties of 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal?
2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 265.26 g/mol, XLogP of -3.33, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 87645451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).