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

C11H18N2O — CID 116674244

IUPAC2-(azetidin-3-ylidene)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)=C1CNC1
InChIInChI=1S/C11H18N2O/c1-8(9-6-12-7-9)11(14)13-10-4-2-3-5-10/h10,12H,2-7H2,1H3,(H,13,14)
InChIKeyUVMFOLLBGCUDLG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.96
Rot. Bonds2

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

2-(azetidin-3-ylidene)-N-cyclopentylpropanamide (PubChem CID 116674244) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-cyclopentylpropanamide
PubChem CID116674244
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(azetidin-3-ylidene)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)=C1CNC1
InChIInChI=1S/C11H18N2O/c1-8(9-6-12-7-9)11(14)13-10-4-2-3-5-10/h10,12H,2-7H2,1H3,(H,13,14)
InChIKeyUVMFOLLBGCUDLG-UHFFFAOYSA-N
XLogP0.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.96
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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Related Compounds

2-(azetidin-3-ylidene)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262
N-cyclopentyl-3-methylbut-2-enamide
CID 58065354
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 104892374
2-(azetidin-3-ylidene)-N-[(1R)-1-cyclopentylethyl]propanamide
CID 104892376
2-(azetidin-3-ylidene)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 104967318
2-(azetidin-3-ylidene)-N-(2-ethylcyclopropyl)propanamide
CID 105753102
2-(azetidin-3-ylidene)-N-(2-propylcyclopropyl)propanamide
CID 105775422
2-(azetidin-3-ylidene)-N-(2-methylsulfanylcyclopentyl)propanamide
CID 105860883
2-(azetidin-3-ylidene)-N-(3-methylsulfanylcyclopentyl)propanamide
CID 105874158
2-(azetidin-3-ylidene)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106026156
2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047676

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide (CID 116674244) is 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide?
The InChIKey is UVMFOLLBGCUDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(9-6-12-7-9)11(14)13-10-4-2-3-5-10/h10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-cyclopentylpropanamide?
2-(azetidin-3-ylidene)-N-cyclopentylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 0.96, 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-cyclopentylpropanamide is sourced from PubChem (CID 116674244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).