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

C8H14N2O — CID 116674252

IUPAC2-(azetidin-3-ylidene)-N-ethylpropanamide
SMILESCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C8H14N2O/c1-3-10-8(11)6(2)7-4-9-5-7/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyKWUNXRRZEGHTJF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.04
Rot. Bonds2

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

2-(azetidin-3-ylidene)-N-ethylpropanamide (PubChem CID 116674252) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-ethylpropanamide
PubChem CID116674252
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(azetidin-3-ylidene)-N-ethylpropanamide
SMILESCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C8H14N2O/c1-3-10-8(11)6(2)7-4-9-5-7/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyKWUNXRRZEGHTJF-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.04
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

3,4-dimethyl-1,5-dihydro-(2H)-pyrrol-2-one
CID 574037
(Z)-N-ethyl-3-fluoro-2-methylbut-2-enamide
CID 88409024
(Z)-3-fluoro-2-methyl-N-propylbut-2-enamide
CID 117883121
N-ethyl-3-fluoro-2-methylbut-2-enamide
CID 174789966
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291836
2-(azetidin-3-ylidene)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116675906
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676447
2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116677478
2-(azetidin-3-ylidene)-N-(3,3,3-trifluoropropyl)propanamide
CID 116677845

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-ethylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-ethylpropanamide (CID 116674252) is 2-(azetidin-3-ylidene)-N-ethylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-ethylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-ethylpropanamide is CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-ethylpropanamide?
The InChIKey is KWUNXRRZEGHTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-10-8(11)6(2)7-4-9-5-7/h9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(azetidin-3-ylidene)-N-ethylpropanamide?
2-(azetidin-3-ylidene)-N-ethylpropanamide has a molecular weight of 154.21 g/mol, XLogP of 0.04, 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-ethylpropanamide is sourced from PubChem (CID 116674252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).