N-[[(E)-but-1-enoxy]methyl]prop-2-enamide

C8H13NO2 — CID 23172057

IUPACN-[[(E)-but-1-enoxy]methyl]prop-2-enamide
SMILESC=CC(=O)NCO/C=C/CC
InChIInChI=1S/C8H13NO2/c1-3-5-6-11-7-9-8(10)4-2/h4-6H,2-3,7H2,1H3,(H,9,10)/b6-5+
InChIKeyVBZRXBJDKYZKDQ-AATRIKPKSA-N
MW155.20 g/mol
LogP1.19
Rot. Bonds5

About N-[[(E)-but-1-enoxy]methyl]prop-2-enamide

N-[[(E)-but-1-enoxy]methyl]prop-2-enamide (PubChem CID 23172057) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[[(E)-but-1-enoxy]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(E)-but-1-enoxy]methyl]prop-2-enamide
PubChem CID23172057
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-[[(E)-but-1-enoxy]methyl]prop-2-enamide
SMILESC=CC(=O)NCO/C=C/CC
InChIInChI=1S/C8H13NO2/c1-3-5-6-11-7-9-8(10)4-2/h4-6H,2-3,7H2,1H3,(H,9,10)/b6-5+
InChIKeyVBZRXBJDKYZKDQ-AATRIKPKSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-pent-2-enyl]prop-2-enamide
CID 131241342
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
tris[(prop-2-enoylamino)methyl] phosphate
CID 158064105
dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride
CID 174453609
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
CID 173161904
CID 173161904
N-[4-ethyl-7-(prop-2-enoylamino)-4-[(prop-2-enoylamino)methoxy]heptyl]prop-2-enamide
CID 170841416
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
but-1-ene;N-methylprop-2-enamide
CID 159446883
triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-but-1-enoxy]methyl]prop-2-enamide?
The IUPAC name of N-[[(E)-but-1-enoxy]methyl]prop-2-enamide (CID 23172057) is N-[[(E)-but-1-enoxy]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(E)-but-1-enoxy]methyl]prop-2-enamide?
The canonical SMILES for N-[[(E)-but-1-enoxy]methyl]prop-2-enamide is C=CC(=O)NCO/C=C/CC.
What is the InChIKey of N-[[(E)-but-1-enoxy]methyl]prop-2-enamide?
The InChIKey is VBZRXBJDKYZKDQ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-6-11-7-9-8(10)4-2/h4-6H,2-3,7H2,1H3,(H,9,10)/b6-5+.
What are the key properties of N-[[(E)-but-1-enoxy]methyl]prop-2-enamide?
N-[[(E)-but-1-enoxy]methyl]prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-but-1-enoxy]methyl]prop-2-enamide is sourced from PubChem (CID 23172057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).