(E)-N-(oxan-4-yl)but-2-enamide

C9H15NO2 — CID 118136876

IUPAC(E)-N-(oxan-4-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)10-8-4-6-12-7-5-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyNNWDALTXASSEDF-NSCUHMNNSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds2

About (E)-N-(oxan-4-yl)but-2-enamide

(E)-N-(oxan-4-yl)but-2-enamide (PubChem CID 118136876) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-N-(oxan-4-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(oxan-4-yl)but-2-enamide
PubChem CID118136876
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-N-(oxan-4-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)10-8-4-6-12-7-5-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyNNWDALTXASSEDF-NSCUHMNNSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
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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Related Compounds

4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
CID 112727975
N-(oxolan-3-yl)hex-2-enamide
CID 67977572
N-cyclohexylhexa-2,4-dienamide
CID 71382981
(E)-N-(3-methoxycyclobutyl)but-2-enamide
CID 104578454
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
CID 110470176
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
CID 144904584
N-(4-methylcyclohexyl)hexa-2,4-dienamide
CID 72689142
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596

Frequently Asked Questions

What is the IUPAC name of (E)-N-(oxan-4-yl)but-2-enamide?
The IUPAC name of (E)-N-(oxan-4-yl)but-2-enamide (CID 118136876) is (E)-N-(oxan-4-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(oxan-4-yl)but-2-enamide?
The canonical SMILES for (E)-N-(oxan-4-yl)but-2-enamide is C/C=C/C(=O)NC1CCOCC1.
What is the InChIKey of (E)-N-(oxan-4-yl)but-2-enamide?
The InChIKey is NNWDALTXASSEDF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-9(11)10-8-4-6-12-7-5-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+.
What are the key properties of (E)-N-(oxan-4-yl)but-2-enamide?
(E)-N-(oxan-4-yl)but-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(oxan-4-yl)but-2-enamide is sourced from PubChem (CID 118136876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).