(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide

C10H17NO3 — CID 24730334

IUPAC(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/C1CCOCC1
InChIInChI=1S/C10H17NO3/c1-11(13-2)10(12)4-3-9-5-7-14-8-6-9/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyZIPOPTFLBYIKJF-ONEGZZNKSA-N
MW199.25 g/mol
LogP0.99
Rot. Bonds3

About (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide

(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide (PubChem CID 24730334) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide
PubChem CID24730334
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide
SMILESCON(C)C(=O)/C=C/C1CCOCC1
InChIInChI=1S/C10H17NO3/c1-11(13-2)10(12)4-3-9-5-7-14-8-6-9/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyZIPOPTFLBYIKJF-ONEGZZNKSA-N
XLogP0.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide (CID 24730334) is (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide is CON(C)C(=O)/C=C/C1CCOCC1.
What is the InChIKey of (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide?
The InChIKey is ZIPOPTFLBYIKJF-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(13-2)10(12)4-3-9-5-7-14-8-6-9/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide?
(E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide is sourced from PubChem (CID 24730334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).