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

C15H17NO — CID 134224964

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
SMILESO=C(CC1CC2C=CC1C2)Nc1ccccc1
InChIInChI=1S/C15H17NO/c17-15(16-14-4-2-1-3-5-14)10-13-9-11-6-7-12(13)8-11/h1-7,11-13H,8-10H2,(H,16,17)
InChIKeyYZBNLTRDABQLEZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.23
Rot. Bonds3

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

2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide (PubChem CID 134224964) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
PubChem CID134224964
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
SMILESO=C(CC1CC2C=CC1C2)Nc1ccccc1
InChIInChI=1S/C15H17NO/c17-15(16-14-4-2-1-3-5-14)10-13-9-11-6-7-12(13)8-11/h1-7,11-13H,8-10H2,(H,16,17)
InChIKeyYZBNLTRDABQLEZ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.23
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

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012287
2-cyclopropyl-N-phenylacetamide
CID 60753326
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide
CID 20649897
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 70975752
12-(2-bicyclo[2.2.1]hept-5-enyl)-N-[3,5-bis(phenylsulfanylmethyl)phenyl]dodecanamide
CID 102215908
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
CID 51972824
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide (CID 134224964) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide is O=C(CC1CC2C=CC1C2)Nc1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide?
The InChIKey is YZBNLTRDABQLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15(16-14-4-2-1-3-5-14)10-13-9-11-6-7-12(13)8-11/h1-7,11-13H,8-10H2,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide?
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide has a molecular weight of 227.31 g/mol, XLogP of 3.23, 3 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-phenylacetamide is sourced from PubChem (CID 134224964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).