N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide

C14H23NO2 — CID 129178537

IUPACN-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide
SMILESC=CCCCCN(C)C(=O)C1CC2CC1CO2
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-15(2)14(16)13-9-12-8-11(13)10-17-12/h3,11-13H,1,4-10H2,2H3
InChIKeyMXEGWVQKJVWSLG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.23
Rot. Bonds6

About N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide

N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide (PubChem CID 129178537) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide.

Molecular Properties

Compound NameN-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide
PubChem CID129178537
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide
SMILESC=CCCCCN(C)C(=O)C1CC2CC1CO2
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-15(2)14(16)13-9-12-8-11(13)10-17-12/h3,11-13H,1,4-10H2,2H3
InChIKeyMXEGWVQKJVWSLG-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide?
The IUPAC name of N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide (CID 129178537) is N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide.
What is the SMILES notation for N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide?
The canonical SMILES for N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide is C=CCCCCN(C)C(=O)C1CC2CC1CO2.
What is the InChIKey of N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide?
The InChIKey is MXEGWVQKJVWSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-15(2)14(16)13-9-12-8-11(13)10-17-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide?
N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide is sourced from PubChem (CID 129178537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).