N-prop-2-enyloxane-4-carboxamide

C9H15NO2 — CID 60656615

IUPACN-prop-2-enyloxane-4-carboxamide
SMILESC=CCNC(=O)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-5-10-9(11)8-3-6-12-7-4-8/h2,8H,1,3-7H2,(H,10,11)
InChIKeyMYVBIXWOFPYXIP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.72
Rot. Bonds3

About N-prop-2-enyloxane-4-carboxamide

N-prop-2-enyloxane-4-carboxamide (PubChem CID 60656615) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-prop-2-enyloxane-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyloxane-4-carboxamide
PubChem CID60656615
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-prop-2-enyloxane-4-carboxamide
SMILESC=CCNC(=O)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-5-10-9(11)8-3-6-12-7-4-8/h2,8H,1,3-7H2,(H,10,11)
InChIKeyMYVBIXWOFPYXIP-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyloxane-4-carboxamide?
The IUPAC name of N-prop-2-enyloxane-4-carboxamide (CID 60656615) is N-prop-2-enyloxane-4-carboxamide.
What is the SMILES notation for N-prop-2-enyloxane-4-carboxamide?
The canonical SMILES for N-prop-2-enyloxane-4-carboxamide is C=CCNC(=O)C1CCOCC1.
What is the InChIKey of N-prop-2-enyloxane-4-carboxamide?
The InChIKey is MYVBIXWOFPYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-5-10-9(11)8-3-6-12-7-4-8/h2,8H,1,3-7H2,(H,10,11).
What are the key properties of N-prop-2-enyloxane-4-carboxamide?
N-prop-2-enyloxane-4-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloxane-4-carboxamide is sourced from PubChem (CID 60656615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).