3-cyclohexylprop-2-enamide

C9H15NO — CID 54292987

IUPAC3-cyclohexylprop-2-enamide
SMILESNC(=O)C=CC1CCCCC1
InChIInChI=1S/C9H15NO/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,11)
InChIKeyRYUSNSJXWMRJFI-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.61
Rot. Bonds2

About 3-cyclohexylprop-2-enamide

3-cyclohexylprop-2-enamide (PubChem CID 54292987) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-cyclohexylprop-2-enamide.

Molecular Properties

Compound Name3-cyclohexylprop-2-enamide
PubChem CID54292987
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3-cyclohexylprop-2-enamide
SMILESNC(=O)C=CC1CCCCC1
InChIInChI=1S/C9H15NO/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,11)
InChIKeyRYUSNSJXWMRJFI-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-2-enamide?
The IUPAC name of 3-cyclohexylprop-2-enamide (CID 54292987) is 3-cyclohexylprop-2-enamide.
What is the SMILES notation for 3-cyclohexylprop-2-enamide?
The canonical SMILES for 3-cyclohexylprop-2-enamide is NC(=O)C=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-2-enamide?
The InChIKey is RYUSNSJXWMRJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,10,11).
What are the key properties of 3-cyclohexylprop-2-enamide?
3-cyclohexylprop-2-enamide has a molecular weight of 153.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-enamide is sourced from PubChem (CID 54292987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).