N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide

C11H19NO3 — CID 79039027

IUPACN-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H19NO3/c1-2-3-4-10(13)12-9-11(14)5-7-15-8-6-11/h2,14H,1,3-9H2,(H,12,13)
InChIKeyFXFBPDSFZVUQTD-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.61
Rot. Bonds5

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

N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide (PubChem CID 79039027) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide
PubChem CID79039027
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C11H19NO3/c1-2-3-4-10(13)12-9-11(14)5-7-15-8-6-11/h2,14H,1,3-9H2,(H,12,13)
InChIKeyFXFBPDSFZVUQTD-UHFFFAOYSA-N
XLogP0.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.61
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]pent-4-enamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide (CID 79039027) is N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide is C=CCCC(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide?
The InChIKey is FXFBPDSFZVUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-10(13)12-9-11(14)5-7-15-8-6-11/h2,14H,1,3-9H2,(H,12,13).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide?
N-[(4-hydroxyoxan-4-yl)methyl]pent-4-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.61, 5 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]pent-4-enamide is sourced from PubChem (CID 79039027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).