2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide

C12H19NO — CID 118016184

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide
SMILESCCCNC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-2-5-13-12(14)8-11-7-9-3-4-10(11)6-9/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)
InChIKeyVTSGMHFIENUQQP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

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

2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide (PubChem CID 118016184) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide
PubChem CID118016184
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide
SMILESCCCNC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-2-5-13-12(14)8-11-7-9-3-4-10(11)6-9/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)
InChIKeyVTSGMHFIENUQQP-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide (CID 118016184) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide is CCCNC(=O)CC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide?
The InChIKey is VTSGMHFIENUQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-5-13-12(14)8-11-7-9-3-4-10(11)6-9/h3-4,9-11H,2,5-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide?
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-propylacetamide is sourced from PubChem (CID 118016184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).