3-cyclohexyl-N-hydroxyprop-2-enamide

C9H15NO2 — CID 71376620

IUPAC3-cyclohexyl-N-hydroxyprop-2-enamide
SMILESO=C(C=CC1CCCCC1)NO
InChIInChI=1S/C9H15NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,10,11)
InChIKeyLXIOHJHWOFKOBD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.63
Rot. Bonds2

About 3-cyclohexyl-N-hydroxyprop-2-enamide

3-cyclohexyl-N-hydroxyprop-2-enamide (PubChem CID 71376620) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-cyclohexyl-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-cyclohexyl-N-hydroxyprop-2-enamide
PubChem CID71376620
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-cyclohexyl-N-hydroxyprop-2-enamide
SMILESO=C(C=CC1CCCCC1)NO
InChIInChI=1S/C9H15NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,10,11)
InChIKeyLXIOHJHWOFKOBD-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-hydroxyprop-2-enamide?
The IUPAC name of 3-cyclohexyl-N-hydroxyprop-2-enamide (CID 71376620) is 3-cyclohexyl-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-cyclohexyl-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-cyclohexyl-N-hydroxyprop-2-enamide is O=C(C=CC1CCCCC1)NO.
What is the InChIKey of 3-cyclohexyl-N-hydroxyprop-2-enamide?
The InChIKey is LXIOHJHWOFKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h6-8,12H,1-5H2,(H,10,11).
What are the key properties of 3-cyclohexyl-N-hydroxyprop-2-enamide?
3-cyclohexyl-N-hydroxyprop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71376620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).