(Z)-6-ethoxy-N,4-dioxohept-5-enamide

C9H13NO4 — CID 126591471

IUPAC(Z)-6-ethoxy-N,4-dioxohept-5-enamide
SMILESCCO/C(C)=C\C(=O)CCC(=O)N=O
InChIInChI=1S/C9H13NO4/c1-3-14-7(2)6-8(11)4-5-9(12)10-13/h6H,3-5H2,1-2H3/b7-6-
InChIKeyQBJVPZMKXYKWQW-SREVYHEPSA-N
MW199.21 g/mol
LogP1.57
Rot. Bonds6

About (Z)-6-ethoxy-N,4-dioxohept-5-enamide

(Z)-6-ethoxy-N,4-dioxohept-5-enamide (PubChem CID 126591471) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (Z)-6-ethoxy-N,4-dioxohept-5-enamide.

Molecular Properties

Compound Name(Z)-6-ethoxy-N,4-dioxohept-5-enamide
PubChem CID126591471
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(Z)-6-ethoxy-N,4-dioxohept-5-enamide
SMILESCCO/C(C)=C\C(=O)CCC(=O)N=O
InChIInChI=1S/C9H13NO4/c1-3-14-7(2)6-8(11)4-5-9(12)10-13/h6H,3-5H2,1-2H3/b7-6-
InChIKeyQBJVPZMKXYKWQW-SREVYHEPSA-N
XLogP1.57
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-ethoxy-2-oxopent-3-enoate
CID 6385113
N,4-dioxopentanamide
CID 87531074
ethyl [(Z)-4-oxopent-2-en-2-yl] carbonate
CID 88770725
N-cyano-3-ethoxybut-2-enamide
CID 54044619
ethyl 9-methyl-7-oxodec-8-enoate
CID 24976215
(Z)-2-bis[[(Z)-4-oxohept-2-en-2-yl]oxy]alumanyloxyhept-2-en-4-one
CID 139990275
2-ethoxybut-2-ene;silane
CID 174428196
ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
CID 51777340
diethyl 2-nitrosobut-2-enedioate
CID 123396448
(E)-6-ethoxy-N-ethylhept-5-enamide
CID 142914571
ethyl (E)-3-hydroxy-2-nitrosobut-2-enoate
CID 135408775
ethyl 2-hydroxyiminopropanoate
CID 6399798

Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethoxy-N,4-dioxohept-5-enamide?
The IUPAC name of (Z)-6-ethoxy-N,4-dioxohept-5-enamide (CID 126591471) is (Z)-6-ethoxy-N,4-dioxohept-5-enamide.
What is the SMILES notation for (Z)-6-ethoxy-N,4-dioxohept-5-enamide?
The canonical SMILES for (Z)-6-ethoxy-N,4-dioxohept-5-enamide is CCO/C(C)=C\C(=O)CCC(=O)N=O.
What is the InChIKey of (Z)-6-ethoxy-N,4-dioxohept-5-enamide?
The InChIKey is QBJVPZMKXYKWQW-SREVYHEPSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-14-7(2)6-8(11)4-5-9(12)10-13/h6H,3-5H2,1-2H3/b7-6-.
What are the key properties of (Z)-6-ethoxy-N,4-dioxohept-5-enamide?
(Z)-6-ethoxy-N,4-dioxohept-5-enamide has a molecular weight of 199.21 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethoxy-N,4-dioxohept-5-enamide is sourced from PubChem (CID 126591471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).