(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide

C9H14N2O2 — CID 88556072

IUPAC(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide
SMILESCC/C=C/NC(=O)/C=C\C=N/OC
InChIInChI=1S/C9H14N2O2/c1-3-4-7-10-9(12)6-5-8-11-13-2/h4-8H,3H2,1-2H3,(H,10,12)/b6-5-,7-4+,11-8-
InChIKeyMYUBHEZMMYZVCX-WENQVMMISA-N
MW182.22 g/mol
LogP1.21
Rot. Bonds5

About (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide

(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide (PubChem CID 88556072) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide.

Molecular Properties

Compound Name(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide
PubChem CID88556072
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide
SMILESCC/C=C/NC(=O)/C=C\C=N/OC
InChIInChI=1S/C9H14N2O2/c1-3-4-7-10-9(12)6-5-8-11-13-2/h4-8H,3H2,1-2H3,(H,10,12)/b6-5-,7-4+,11-8-
InChIKeyMYUBHEZMMYZVCX-WENQVMMISA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide?
The IUPAC name of (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide (CID 88556072) is (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide.
What is the SMILES notation for (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide?
The canonical SMILES for (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide is CC/C=C/NC(=O)/C=C\C=N/OC.
What is the InChIKey of (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide?
The InChIKey is MYUBHEZMMYZVCX-WENQVMMISA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-7-10-9(12)6-5-8-11-13-2/h4-8H,3H2,1-2H3,(H,10,12)/b6-5-,7-4+,11-8-.
What are the key properties of (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide?
(Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide has a molecular weight of 182.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-N-[(E)-but-1-enyl]-4-methoxyiminobut-2-enamide is sourced from PubChem (CID 88556072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).