N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide

C10H17NO3 — CID 81130145

IUPACN-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide
SMILESC=CCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C10H17NO3/c1-2-3-9(12)11-8-10(13)4-6-14-7-5-10/h2,13H,1,3-8H2,(H,11,12)
InChIKeyXTNHVXBSFKDOIO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.22
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide

N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide (PubChem CID 81130145) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide
PubChem CID81130145
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide
SMILESC=CCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C10H17NO3/c1-2-3-9(12)11-8-10(13)4-6-14-7-5-10/h2,13H,1,3-8H2,(H,11,12)
InChIKeyXTNHVXBSFKDOIO-UHFFFAOYSA-N
XLogP0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide (CID 81130145) is N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide is C=CCC(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide?
The InChIKey is XTNHVXBSFKDOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-9(12)11-8-10(13)4-6-14-7-5-10/h2,13H,1,3-8H2,(H,11,12).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide?
N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]but-3-enamide is sourced from PubChem (CID 81130145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).