N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide

C16H24N2O2 — CID 147464092

IUPACN-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide
SMILESC=CCC(=O)NC1CC2CCC1CC2NC(=O)CC=C
InChIInChI=1S/C16H24N2O2/c1-3-5-15(19)17-13-9-12-8-7-11(13)10-14(12)18-16(20)6-4-2/h3-4,11-14H,1-2,5-10H2,(H,17,19)(H,18,20)
InChIKeyFAMKASKVKXQBMC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds6

About N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide

N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide (PubChem CID 147464092) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide.

Molecular Properties

Compound NameN-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide
PubChem CID147464092
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide
SMILESC=CCC(=O)NC1CC2CCC1CC2NC(=O)CC=C
InChIInChI=1S/C16H24N2O2/c1-3-5-15(19)17-13-9-12-8-7-11(13)10-14(12)18-16(20)6-4-2/h3-4,11-14H,1-2,5-10H2,(H,17,19)(H,18,20)
InChIKeyFAMKASKVKXQBMC-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide?
The IUPAC name of N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide (CID 147464092) is N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide.
What is the SMILES notation for N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide?
The canonical SMILES for N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide is C=CCC(=O)NC1CC2CCC1CC2NC(=O)CC=C.
What is the InChIKey of N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide?
The InChIKey is FAMKASKVKXQBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-15(19)17-13-9-12-8-7-11(13)10-14(12)18-16(20)6-4-2/h3-4,11-14H,1-2,5-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide?
N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide is sourced from PubChem (CID 147464092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).