N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide

C17H19NO — CID 135038482

IUPACN-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C17H19NO/c1-2-17(19)18(12-13-6-4-3-5-7-13)16-11-14-8-9-15(16)10-14/h2-9,14-16H,1,10-12H2
InChIKeyYYPKBQLXKCYCQT-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.17
Rot. Bonds4

About N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide

N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide (PubChem CID 135038482) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide
PubChem CID135038482
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C17H19NO/c1-2-17(19)18(12-13-6-4-3-5-7-13)16-11-14-8-9-15(16)10-14/h2-9,14-16H,1,10-12H2
InChIKeyYYPKBQLXKCYCQT-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
CID 42701074
benzyl-[(3S,4R)-3-hydroxyoxan-4-yl]carbamic acid
CID 70664248
[2-(dibenzylamino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23740509
benzyl-[(1S,2S)-2-[benzyl(carboxy)amino]cyclohex-3-en-1-yl]carbamic acid
CID 122441352
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
CID 42701072
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
N-benzyl-N-(6-oxocyclohexen-1-yl)prop-2-enamide
CID 11086330
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
benzyl(ethenyl)carbamic acid
CID 22377754
N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
CID 146095242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide?
The IUPAC name of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide (CID 135038482) is N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide.
What is the SMILES notation for N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide?
The canonical SMILES for N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide is C=CC(=O)N(Cc1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide?
The InChIKey is YYPKBQLXKCYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-17(19)18(12-13-6-4-3-5-7-13)16-11-14-8-9-15(16)10-14/h2-9,14-16H,1,10-12H2.
What are the key properties of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide?
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide has a molecular weight of 253.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enyl)prop-2-enamide is sourced from PubChem (CID 135038482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).