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

C9H16N2O — CID 116674216

IUPAC2-(azetidin-3-ylidene)-N-propylpropanamide
SMILESCCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C9H16N2O/c1-3-4-11-9(12)7(2)8-5-10-6-8/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyUPQQDXAXUPCVNA-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-propylpropanamide (PubChem CID 116674216) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-propylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-propylpropanamide
PubChem CID116674216
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(azetidin-3-ylidene)-N-propylpropanamide
SMILESCCCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C9H16N2O/c1-3-4-11-9(12)7(2)8-5-10-6-8/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyUPQQDXAXUPCVNA-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
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

(Z)-3-fluoro-2-methyl-N-propylbut-2-enamide
CID 117883121
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-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550858
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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676471
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-propylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-propylpropanamide (CID 116674216) is 2-(azetidin-3-ylidene)-N-propylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-propylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-propylpropanamide is CCCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-propylpropanamide?
The InChIKey is UPQQDXAXUPCVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-11-9(12)7(2)8-5-10-6-8/h10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(azetidin-3-ylidene)-N-propylpropanamide?
2-(azetidin-3-ylidene)-N-propylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 3 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-propylpropanamide is sourced from PubChem (CID 116674216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).