N-(prop-1-enoxymethyl)prop-2-enamide

C7H11NO2 — CID 54343602

IUPACN-(prop-1-enoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOC=CC
InChIInChI=1S/C7H11NO2/c1-3-5-10-6-8-7(9)4-2/h3-5H,2,6H2,1H3,(H,8,9)
InChIKeyUARVNSFTUCNVQQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.80
Rot. Bonds4

About N-(prop-1-enoxymethyl)prop-2-enamide

N-(prop-1-enoxymethyl)prop-2-enamide (PubChem CID 54343602) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(prop-1-enoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(prop-1-enoxymethyl)prop-2-enamide
PubChem CID54343602
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(prop-1-enoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOC=CC
InChIInChI=1S/C7H11NO2/c1-3-5-10-6-8-7(9)4-2/h3-5H,2,6H2,1H3,(H,8,9)
InChIKeyUARVNSFTUCNVQQ-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.80
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-(Butoxymethyl)acrylamide
CID 15817
N-(Isobutoxymethyl)acrylamide
CID 27979
2-Propenamide, N-(methoxymethyl)-
CID 77203
N-(ethoxymethyl)acrylamide
CID 83066
N-allyloxymethylacrylamide
CID 19357475
2,3-Dihydro-1,3-oxazin-4-one
CID 21223281
N-((1-Methylpropoxy)methyl)acrylamide
CID 3024025
N-(propoxymethyl)prop-2-enamide
CID 22596499
N-(propan-2-yloxymethyl)prop-2-enamide
CID 23440481
(E)-3-(fluoromethoxy)-N-methylprop-2-enamide
CID 134405434
(E)-3-Methoxy-but-2-enoic acid methylamide
CID 55288499
N-(1-methoxyethyl)prop-2-enamide
CID 11182618

Frequently Asked Questions

What is the IUPAC name of N-(prop-1-enoxymethyl)prop-2-enamide?
The IUPAC name of N-(prop-1-enoxymethyl)prop-2-enamide (CID 54343602) is N-(prop-1-enoxymethyl)prop-2-enamide.
What is the SMILES notation for N-(prop-1-enoxymethyl)prop-2-enamide?
The canonical SMILES for N-(prop-1-enoxymethyl)prop-2-enamide is C=CC(=O)NCOC=CC.
What is the InChIKey of N-(prop-1-enoxymethyl)prop-2-enamide?
The InChIKey is UARVNSFTUCNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-10-6-8-7(9)4-2/h3-5H,2,6H2,1H3,(H,8,9).
What are the key properties of N-(prop-1-enoxymethyl)prop-2-enamide?
N-(prop-1-enoxymethyl)prop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-1-enoxymethyl)prop-2-enamide is sourced from PubChem (CID 54343602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).