N-(oxan-4-yl)but-3-enamide

C9H15NO2 — CID 134356735

IUPACN-(oxan-4-yl)but-3-enamide
SMILESC=CCC(=O)NC1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)10-8-4-6-12-7-5-8/h2,8H,1,3-7H2,(H,10,11)
InChIKeySVEICURXIVCDBM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About N-(oxan-4-yl)but-3-enamide

N-(oxan-4-yl)but-3-enamide (PubChem CID 134356735) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(oxan-4-yl)but-3-enamide.

Molecular Properties

Compound NameN-(oxan-4-yl)but-3-enamide
PubChem CID134356735
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(oxan-4-yl)but-3-enamide
SMILESC=CCC(=O)NC1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)10-8-4-6-12-7-5-8/h2,8H,1,3-7H2,(H,10,11)
InChIKeySVEICURXIVCDBM-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
2-cyano-N-(oxan-4-yl)acetamide
CID 43610224
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
1-(oxan-4-yl)pent-4-en-2-one
CID 116659446
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
(2S)-2-amino-4-(oxan-4-ylamino)-4-oxobutanoic acid
CID 70945523
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
CID 114009193

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)but-3-enamide?
The IUPAC name of N-(oxan-4-yl)but-3-enamide (CID 134356735) is N-(oxan-4-yl)but-3-enamide.
What is the SMILES notation for N-(oxan-4-yl)but-3-enamide?
The canonical SMILES for N-(oxan-4-yl)but-3-enamide is C=CCC(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)but-3-enamide?
The InChIKey is SVEICURXIVCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-9(11)10-8-4-6-12-7-5-8/h2,8H,1,3-7H2,(H,10,11).
What are the key properties of N-(oxan-4-yl)but-3-enamide?
N-(oxan-4-yl)but-3-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)but-3-enamide is sourced from PubChem (CID 134356735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).