(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide

C10H16N2O2 — CID 134844931

IUPAC(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NC(C)NC(=O)/C=C/C
InChIInChI=1S/C10H16N2O2/c1-4-6-9(13)11-8(3)12-10(14)7-5-2/h4-8H,1-3H3,(H,11,13)(H,12,14)/b6-4+,7-5+
InChIKeyWPJWZIOEUISZOH-YDFGWWAZSA-N
MW196.25 g/mol
LogP0.72
Rot. Bonds4

About (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide

(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide (PubChem CID 134844931) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
PubChem CID134844931
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NC(C)NC(=O)/C=C/C
InChIInChI=1S/C10H16N2O2/c1-4-6-9(13)11-8(3)12-10(14)7-5-2/h4-8H,1-3H3,(H,11,13)(H,12,14)/b6-4+,7-5+
InChIKeyWPJWZIOEUISZOH-YDFGWWAZSA-N
XLogP0.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.72
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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Related Compounds

N-((Dibutylamino)methyl)acrylamide
CID 92692
N-[(Dimethylamino)methyl]prop-2-enimidic acid--prop-2-enimidic acid (1/1)
CID 170477
N-propan-2-ylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 146425012
Allyl-isopropyl-acetylharnstoff
CID 9942324
n-Acryloyl-diaminoethane
CID 17905293
N,N-(dimethylamino)propylacrylamide
CID 19831617
2-methylprop-2-enamide;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88240757
N-[2-(2-Oxo-1-imidazolidinyl)ethyl]-2-butenamide
CID 114663
But-2-enedioic acid bis-allylamide
CID 6026599
(E)-N,N'-dipropylbut-2-enediamide
CID 6083413
N-allyl-5-oxo-2H-pyrrole-1-carboxamide
CID 134815541
N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 12600526

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide (CID 134844931) is (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide is C/C=C/C(=O)NC(C)NC(=O)/C=C/C.
What is the InChIKey of (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide?
The InChIKey is WPJWZIOEUISZOH-YDFGWWAZSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-9(13)11-8(3)12-10(14)7-5-2/h4-8H,1-3H3,(H,11,13)(H,12,14)/b6-4+,7-5+.
What are the key properties of (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide?
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide is sourced from PubChem (CID 134844931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).