N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide

C16H25NO — CID 76599962

IUPACN-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide
SMILESC=CN(CC=CC1CC=CCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-17(15(18)16(2,3)4)13-9-12-14-10-7-6-8-11-14/h5-7,9,12,14H,1,8,10-11,13H2,2-4H3
InChIKeyBQWZOIJTHDMPEY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds4

About N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide

N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide (PubChem CID 76599962) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide
PubChem CID76599962
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide
SMILESC=CN(CC=CC1CC=CCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H25NO/c1-5-17(15(18)16(2,3)4)13-9-12-14-10-7-6-8-11-14/h5-7,9,12,14H,1,8,10-11,13H2,2-4H3
InChIKeyBQWZOIJTHDMPEY-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
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 N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide (CID 76599962) is N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide is C=CN(CC=CC1CC=CCC1)C(=O)C(C)(C)C.
What is the InChIKey of N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide?
The InChIKey is BQWZOIJTHDMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17(15(18)16(2,3)4)13-9-12-14-10-7-6-8-11-14/h5-7,9,12,14H,1,8,10-11,13H2,2-4H3.
What are the key properties of N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide?
N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide has a molecular weight of 247.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohex-3-en-1-ylprop-2-enyl)-N-ethenyl-2,2-dimethylpropanamide is sourced from PubChem (CID 76599962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).