(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

C11H17NO3 — CID 142369722

IUPAC(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESCN(CCCCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C11H17NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13/h6-7,9-10H,2-5,8H2,1H3/b7-6-
InChIKeyBBBOPNZIJUBDSZ-SREVYHEPSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds8

About (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (PubChem CID 142369722) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
PubChem CID142369722
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESCN(CCCCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C11H17NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13/h6-7,9-10H,2-5,8H2,1H3/b7-6-
InChIKeyBBBOPNZIJUBDSZ-SREVYHEPSA-N
XLogP0.96
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 ≤ 50.96
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-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The IUPAC name of (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (CID 142369722) is (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.
What is the SMILES notation for (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The canonical SMILES for (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is CN(CCCCCC=O)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The InChIKey is BBBOPNZIJUBDSZ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13/h6-7,9-10H,2-5,8H2,1H3/b7-6-.
What are the key properties of (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide has a molecular weight of 211.26 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is sourced from PubChem (CID 142369722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).