(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide

C10H15NO2 — CID 131237361

IUPAC(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCC1=CCCOC1
InChIInChI=1S/C10H15NO2/c1-2-4-10(12)11-7-9-5-3-6-13-8-9/h2,4-5H,3,6-8H2,1H3,(H,11,12)/b4-2+
InChIKeyCBFQCDAQVFUYFM-DUXPYHPUSA-N
MW181.23 g/mol
LogP1.03
Rot. Bonds3

About (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide

(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide (PubChem CID 131237361) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide
PubChem CID131237361
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide
SMILESC/C=C/C(=O)NCC1=CCCOC1
InChIInChI=1S/C10H15NO2/c1-2-4-10(12)11-7-9-5-3-6-13-8-9/h2,4-5H,3,6-8H2,1H3,(H,11,12)/b4-2+
InChIKeyCBFQCDAQVFUYFM-DUXPYHPUSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide?
The IUPAC name of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide (CID 131237361) is (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide is C/C=C/C(=O)NCC1=CCCOC1.
What is the InChIKey of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide?
The InChIKey is CBFQCDAQVFUYFM-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-4-10(12)11-7-9-5-3-6-13-8-9/h2,4-5H,3,6-8H2,1H3,(H,11,12)/b4-2+.
What are the key properties of (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide?
(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide is sourced from PubChem (CID 131237361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).