(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide

C11H17NO3 — CID 144590215

IUPAC(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide
SMILESC/C=C\C(=O)N(C=O)CCCCCC=O
InChIInChI=1S/C11H17NO3/c1-2-7-11(15)12(10-14)8-5-3-4-6-9-13/h2,7,9-10H,3-6,8H2,1H3/b7-2-
InChIKeyWWEDEIYVPIFXGI-UQCOIBPSSA-N
MW211.26 g/mol
LogP1.31
Rot. Bonds8

About (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide

(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide (PubChem CID 144590215) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide
PubChem CID144590215
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide
SMILESC/C=C\C(=O)N(C=O)CCCCCC=O
InChIInChI=1S/C11H17NO3/c1-2-7-11(15)12(10-14)8-5-3-4-6-9-13/h2,7,9-10H,3-6,8H2,1H3/b7-2-
InChIKeyWWEDEIYVPIFXGI-UQCOIBPSSA-N
XLogP1.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide?
The IUPAC name of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide (CID 144590215) is (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide.
What is the SMILES notation for (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide?
The canonical SMILES for (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide is C/C=C\C(=O)N(C=O)CCCCCC=O.
What is the InChIKey of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide?
The InChIKey is WWEDEIYVPIFXGI-UQCOIBPSSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-7-11(15)12(10-14)8-5-3-4-6-9-13/h2,7,9-10H,3-6,8H2,1H3/b7-2-.
What are the key properties of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide?
(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide has a molecular weight of 211.26 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide is sourced from PubChem (CID 144590215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).