(E)-4-oxohex-2-enamide

C6H9NO2 — CID 153226355

IUPAC(E)-4-oxohex-2-enamide
SMILESCCC(=O)/C=C/C(N)=O
InChIInChI=1S/C6H9NO2/c1-2-5(8)3-4-6(7)9/h3-4H,2H2,1H3,(H2,7,9)/b4-3+
InChIKeyWORJGIJKRYDZST-ONEGZZNKSA-N
MW127.14 g/mol
LogP0.01
Rot. Bonds3

About (E)-4-oxohex-2-enamide

(E)-4-oxohex-2-enamide (PubChem CID 153226355) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (E)-4-oxohex-2-enamide.

Molecular Properties

Compound Name(E)-4-oxohex-2-enamide
PubChem CID153226355
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(E)-4-oxohex-2-enamide
SMILESCCC(=O)/C=C/C(N)=O
InChIInChI=1S/C6H9NO2/c1-2-5(8)3-4-6(7)9/h3-4H,2H2,1H3,(H2,7,9)/b4-3+
InChIKeyWORJGIJKRYDZST-ONEGZZNKSA-N
XLogP0.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-4-oxohex-2-enoate
CID 10725597
(E)-1-hydroxypent-1-en-3-one
CID 12637148
(E)-N-methyl-4-oxohex-2-enamide
CID 135176145
(Z)-N-ethyl-4-oxohex-2-enamide
CID 88554244
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
nona-3,5-diene-2,7-dione
CID 74986099
3-(ethylamino)prop-2-enamide
CID 154070095
hex-4-en-3-one;methane;pentan-3-one
CID 160932179
(E)-hex-2-enamide;hydrochloride
CID 141291310
4-methoxyiminohex-2-enamide
CID 141284520
hexa-2,4-dienal;hex-4-en-3-one
CID 173273748
icosa-2,5,8,11,14,17-hexaenamide
CID 91451907

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxohex-2-enamide?
The IUPAC name of (E)-4-oxohex-2-enamide (CID 153226355) is (E)-4-oxohex-2-enamide.
What is the SMILES notation for (E)-4-oxohex-2-enamide?
The canonical SMILES for (E)-4-oxohex-2-enamide is CCC(=O)/C=C/C(N)=O.
What is the InChIKey of (E)-4-oxohex-2-enamide?
The InChIKey is WORJGIJKRYDZST-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-5(8)3-4-6(7)9/h3-4H,2H2,1H3,(H2,7,9)/b4-3+.
What are the key properties of (E)-4-oxohex-2-enamide?
(E)-4-oxohex-2-enamide has a molecular weight of 127.14 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxohex-2-enamide is sourced from PubChem (CID 153226355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).