(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane

C13H24N2O — CID 171811478

IUPAC(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane
SMILESC/C=C(C)\N=C(\C=C\CC)C(=O)NC.CC
InChIInChI=1S/C11H18N2O.C2H6/c1-5-7-8-10(11(14)12-4)13-9(3)6-2;1-2/h6-8H,5H2,1-4H3,(H,12,14);1-2H3/b8-7+,9-6-,13-10-;
InChIKeyIHKFEXMJKJDZEW-BZNTXZGZSA-N
MW224.35 g/mol
LogP3.09
Rot. Bonds4

About (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane

(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane (PubChem CID 171811478) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane.

Molecular Properties

Compound Name(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane
PubChem CID171811478
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane
SMILESC/C=C(C)\N=C(\C=C\CC)C(=O)NC.CC
InChIInChI=1S/C11H18N2O.C2H6/c1-5-7-8-10(11(14)12-4)13-9(3)6-2;1-2/h6-8H,5H2,1-4H3,(H,12,14);1-2H3/b8-7+,9-6-,13-10-;
InChIKeyIHKFEXMJKJDZEW-BZNTXZGZSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane?
The IUPAC name of (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane (CID 171811478) is (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane.
What is the SMILES notation for (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane?
The canonical SMILES for (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane is C/C=C(C)\N=C(\C=C\CC)C(=O)NC.CC.
What is the InChIKey of (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane?
The InChIKey is IHKFEXMJKJDZEW-BZNTXZGZSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-5-7-8-10(11(14)12-4)13-9(3)6-2;1-2/h6-8H,5H2,1-4H3,(H,12,14);1-2H3/b8-7+,9-6-,13-10-;.
What are the key properties of (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane?
(E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane has a molecular weight of 224.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-but-2-en-2-yl]imino-N-methylhex-3-enamide;ethane is sourced from PubChem (CID 171811478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).