N-(oxan-4-ylmethyl)but-2-enamide

C10H17NO2 — CID 78989095

IUPACN-(oxan-4-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCC1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-10(12)11-8-9-4-6-13-7-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)
InChIKeyFEKNSWGDQZFSIW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds3

About N-(oxan-4-ylmethyl)but-2-enamide

N-(oxan-4-ylmethyl)but-2-enamide (PubChem CID 78989095) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)but-2-enamide
PubChem CID78989095
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(oxan-4-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCC1CCOCC1
InChIInChI=1S/C10H17NO2/c1-2-3-10(12)11-8-9-4-6-13-7-5-9/h2-3,9H,4-8H2,1H3,(H,11,12)
InChIKeyFEKNSWGDQZFSIW-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)but-2-enamide?
The IUPAC name of N-(oxan-4-ylmethyl)but-2-enamide (CID 78989095) is N-(oxan-4-ylmethyl)but-2-enamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)but-2-enamide?
The canonical SMILES for N-(oxan-4-ylmethyl)but-2-enamide is CC=CC(=O)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)but-2-enamide?
The InChIKey is FEKNSWGDQZFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-10(12)11-8-9-4-6-13-7-5-9/h2-3,9H,4-8H2,1H3,(H,11,12).
What are the key properties of N-(oxan-4-ylmethyl)but-2-enamide?
N-(oxan-4-ylmethyl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 78989095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).