N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide

C12H19NO — CID 59793407

IUPACN-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide
SMILESCCC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C12H19NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h3-4,6,9,11H,2,5,7-8,10H2,1H3,(H,13,14)/b9-6+
InChIKeyHUTGXIQNWPHAED-RMKNXTFCSA-N
MW193.29 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide

N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide (PubChem CID 59793407) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide.

Molecular Properties

Compound NameN-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide
PubChem CID59793407
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide
SMILESCCC(=O)NC/C=C/C1CC=CCC1
InChIInChI=1S/C12H19NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h3-4,6,9,11H,2,5,7-8,10H2,1H3,(H,13,14)/b9-6+
InChIKeyHUTGXIQNWPHAED-RMKNXTFCSA-N
XLogP2.43
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 ≤ 52.43
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 N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide?
The IUPAC name of N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide (CID 59793407) is N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide.
What is the SMILES notation for N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide?
The canonical SMILES for N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide is CCC(=O)NC/C=C/C1CC=CCC1.
What is the InChIKey of N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide?
The InChIKey is HUTGXIQNWPHAED-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h3-4,6,9,11H,2,5,7-8,10H2,1H3,(H,13,14)/b9-6+.
What are the key properties of N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide?
N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide has a molecular weight of 193.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]propanamide is sourced from PubChem (CID 59793407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).