2-(azetidin-3-ylidene)-N-cyclohexylpropanamide

C12H20N2O — CID 116674212

IUPAC2-(azetidin-3-ylidene)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)=C1CNC1
InChIInChI=1S/C12H20N2O/c1-9(10-7-13-8-10)12(15)14-11-5-3-2-4-6-11/h11,13H,2-8H2,1H3,(H,14,15)
InChIKeyXHAOHUXMDHQGOJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.36
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide

2-(azetidin-3-ylidene)-N-cyclohexylpropanamide (PubChem CID 116674212) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-cyclohexylpropanamide
PubChem CID116674212
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(azetidin-3-ylidene)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)=C1CNC1
InChIInChI=1S/C12H20N2O/c1-9(10-7-13-8-10)12(15)14-11-5-3-2-4-6-11/h11,13H,2-8H2,1H3,(H,14,15)
InChIKeyXHAOHUXMDHQGOJ-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide (CID 116674212) is 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide?
The InChIKey is XHAOHUXMDHQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(10-7-13-8-10)12(15)14-11-5-3-2-4-6-11/h11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide?
2-(azetidin-3-ylidene)-N-cyclohexylpropanamide has a molecular weight of 208.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-cyclohexylpropanamide is sourced from PubChem (CID 116674212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).