(E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide

C9H14N2O2 — CID 15593824

IUPAC(E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCNC(=O)/C=C/C
InChIInChI=1S/C9H14N2O2/c1-3-5-8(12)10-7-11-9(13)6-4-2/h3-6H,7H2,1-2H3,(H,10,12)(H,11,13)/b5-3+,6-4+
InChIKeyATZSNACJJQFSRG-GGWOSOGESA-N
MW182.22 g/mol
LogP0.33
Rot. Bonds4

About (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide

(E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide (PubChem CID 15593824) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide
PubChem CID15593824
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCNC(=O)/C=C/C
InChIInChI=1S/C9H14N2O2/c1-3-5-8(12)10-7-11-9(13)6-4-2/h3-6H,7H2,1-2H3,(H,10,12)(H,11,13)/b5-3+,6-4+
InChIKeyATZSNACJJQFSRG-GGWOSOGESA-N
XLogP0.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide?
The IUPAC name of (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide (CID 15593824) is (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide?
The canonical SMILES for (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide is C/C=C/C(=O)NCNC(=O)/C=C/C.
What is the InChIKey of (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide?
The InChIKey is ATZSNACJJQFSRG-GGWOSOGESA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-8(12)10-7-11-9(13)6-4-2/h3-6H,7H2,1-2H3,(H,10,12)(H,11,13)/b5-3+,6-4+.
What are the key properties of (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide?
(E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide has a molecular weight of 182.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[[(E)-but-2-enoyl]amino]methyl]but-2-enamide is sourced from PubChem (CID 15593824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).