5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide

C12H19NO — CID 54027174

IUPAC5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide
SMILESNC(=O)CCCCC1=CC2CCC1C2
InChIInChI=1S/C12H19NO/c13-12(14)4-2-1-3-10-7-9-5-6-11(10)8-9/h7,9,11H,1-6,8H2,(H2,13,14)
InChIKeyLDADEBXXZLTSQY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.39
Rot. Bonds5

About 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide

5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide (PubChem CID 54027174) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide
PubChem CID54027174
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide
SMILESNC(=O)CCCCC1=CC2CCC1C2
InChIInChI=1S/C12H19NO/c13-12(14)4-2-1-3-10-7-9-5-6-11(10)8-9/h7,9,11H,1-6,8H2,(H2,13,14)
InChIKeyLDADEBXXZLTSQY-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide (CID 54027174) is 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide is NC(=O)CCCCC1=CC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide?
The InChIKey is LDADEBXXZLTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-12(14)4-2-1-3-10-7-9-5-6-11(10)8-9/h7,9,11H,1-6,8H2,(H2,13,14).
What are the key properties of 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide?
5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide has a molecular weight of 193.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-2-enyl)pentanamide is sourced from PubChem (CID 54027174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).