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

C13H24N2O3 — CID 145135156

IUPAC(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine
SMILESC/C=C\C(=O)N(C=O)CCCCCC=O.CNC
InChIInChI=1S/C11H17NO3.C2H7N/c1-2-7-11(15)12(10-14)8-5-3-4-6-9-13;1-3-2/h2,7,9-10H,3-6,8H2,1H3;3H,1-2H3/b7-2-;
InChIKeyFNBUMMKPHBCIOH-YMWUIOJXSA-N
MW256.35 g/mol
LogP1.14
Rot. Bonds8

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

(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine (PubChem CID 145135156) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine.

Molecular Properties

Compound Name(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine
PubChem CID145135156
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine
SMILESC/C=C\C(=O)N(C=O)CCCCCC=O.CNC
InChIInChI=1S/C11H17NO3.C2H7N/c1-2-7-11(15)12(10-14)8-5-3-4-6-9-13;1-3-2/h2,7,9-10H,3-6,8H2,1H3;3H,1-2H3/b7-2-;
InChIKeyFNBUMMKPHBCIOH-YMWUIOJXSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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;N-methylmethanamine?
The IUPAC name of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine (CID 145135156) is (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine.
What is the SMILES notation for (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine?
The canonical SMILES for (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine is C/C=C\C(=O)N(C=O)CCCCCC=O.CNC.
What is the InChIKey of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine?
The InChIKey is FNBUMMKPHBCIOH-YMWUIOJXSA-N. The full InChI is InChI=1S/C11H17NO3.C2H7N/c1-2-7-11(15)12(10-14)8-5-3-4-6-9-13;1-3-2/h2,7,9-10H,3-6,8H2,1H3;3H,1-2H3/b7-2-;.
What are the key properties of (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine?
(Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-N-(6-oxohexyl)but-2-enamide;N-methylmethanamine is sourced from PubChem (CID 145135156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).