4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide

C13H21NO — CID 59748366

IUPAC4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
SMILESCCC1C2C=CC(C2)C1CCCC(N)=O
InChIInChI=1S/C13H21NO/c1-2-11-9-6-7-10(8-9)12(11)4-3-5-13(14)15/h6-7,9-12H,2-5,8H2,1H3,(H2,14,15)
InChIKeyWSMCPVYTVVYWKH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.49
Rot. Bonds5

About 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide

4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide (PubChem CID 59748366) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide.

Molecular Properties

Compound Name4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
PubChem CID59748366
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
SMILESCCC1C2C=CC(C2)C1CCCC(N)=O
InChIInChI=1S/C13H21NO/c1-2-11-9-6-7-10(8-9)12(11)4-3-5-13(14)15/h6-7,9-12H,2-5,8H2,1H3,(H2,14,15)
InChIKeyWSMCPVYTVVYWKH-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo(2.2.1)hept-5-ene-2-carboxamide
CID 96112
2-Ethylbicyclo(2.2.1)hept-5-ene-2-carboximidic acid
CID 96895
2-Norbornene-5-exo-carboxamide, 5-endo-methyl-
CID 98247
N-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 2999321
1-Cyclohexene-1-acetamide, 4-cyclohexyl-alpha-methyl-
CID 206763
2-Norbornene-5-endo-carboxamide, 5-exo-butyl-
CID 3052857
2-Norbornene-5-endo-carboxamide, 5-exo-cyclopropyl-
CID 3052860
2-Norbornene-5-endo-carboxamide, 5-exo-isopropyl-
CID 3052861
2-Norbornene-5-endo-carboxamide, 5-exo-propyl-
CID 3052862
(2r)-2-Methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 260720
(1S,2R,3R,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134979377
(1S,2S,3S,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134979378

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide?
The IUPAC name of 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide (CID 59748366) is 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide.
What is the SMILES notation for 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide?
The canonical SMILES for 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide is CCC1C2C=CC(C2)C1CCCC(N)=O.
What is the InChIKey of 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide?
The InChIKey is WSMCPVYTVVYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-11-9-6-7-10(8-9)12(11)4-3-5-13(14)15/h6-7,9-12H,2-5,8H2,1H3,(H2,14,15).
What are the key properties of 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide?
4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide has a molecular weight of 207.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide is sourced from PubChem (CID 59748366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).