N-methoxypent-4-enamide

C6H11NO2 — CID 59130457

IUPACN-methoxypent-4-enamide
SMILESC=CCCC(=O)NOC
InChIInChI=1S/C6H11NO2/c1-3-4-5-6(8)7-9-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyNVRWPZFSPZFPBD-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.63
Rot. Bonds4

About N-methoxypent-4-enamide

N-methoxypent-4-enamide (PubChem CID 59130457) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-methoxypent-4-enamide.

Molecular Properties

Compound NameN-methoxypent-4-enamide
PubChem CID59130457
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-methoxypent-4-enamide
SMILESC=CCCC(=O)NOC
InChIInChI=1S/C6H11NO2/c1-3-4-5-6(8)7-9-2/h3H,1,4-5H2,2H3,(H,7,8)
InChIKeyNVRWPZFSPZFPBD-UHFFFAOYSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxypent-4-enamide?
The IUPAC name of N-methoxypent-4-enamide (CID 59130457) is N-methoxypent-4-enamide.
What is the SMILES notation for N-methoxypent-4-enamide?
The canonical SMILES for N-methoxypent-4-enamide is C=CCCC(=O)NOC.
What is the InChIKey of N-methoxypent-4-enamide?
The InChIKey is NVRWPZFSPZFPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5-6(8)7-9-2/h3H,1,4-5H2,2H3,(H,7,8).
What are the key properties of N-methoxypent-4-enamide?
N-methoxypent-4-enamide has a molecular weight of 129.16 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxypent-4-enamide is sourced from PubChem (CID 59130457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).