N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide

C10H17NO3 — CID 103849251

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H17NO3/c1-2-3-4-9(12)11-7-10(13)5-6-14-8-10/h2,13H,1,3-8H2,(H,11,12)
InChIKeyIUXSHCRMTXQEPK-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.22
Rot. Bonds5

About N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide

N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide (PubChem CID 103849251) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide
PubChem CID103849251
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H17NO3/c1-2-3-4-9(12)11-7-10(13)5-6-14-8-10/h2,13H,1,3-8H2,(H,11,12)
InChIKeyIUXSHCRMTXQEPK-UHFFFAOYSA-N
XLogP0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide (CID 103849251) is N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide is C=CCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide?
The InChIKey is IUXSHCRMTXQEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-9(12)11-7-10(13)5-6-14-8-10/h2,13H,1,3-8H2,(H,11,12).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide?
N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]pent-4-enamide is sourced from PubChem (CID 103849251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).