2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide

C10H18N2O — CID 116674242

IUPAC2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide
SMILESCC(C(=O)NCC(C)C)=C1CNC1
InChIInChI=1S/C10H18N2O/c1-7(2)4-12-10(13)8(3)9-5-11-6-9/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyQASTUSVETWCPPY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.68
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide

2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide (PubChem CID 116674242) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide
PubChem CID116674242
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide
SMILESCC(C(=O)NCC(C)C)=C1CNC1
InChIInChI=1S/C10H18N2O/c1-7(2)4-12-10(13)8(3)9-5-11-6-9/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyQASTUSVETWCPPY-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.68
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-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
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-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-(3,3,3-trifluoropropyl)propanamide
CID 116677845
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide
CID 116678637
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
N-(azetidin-3-ylmethyl)-2-fluoro-3-methylbut-2-enamide
CID 130679091
2-fluoro-3-methyl-N-(2-methylpropyl)but-2-enamide
CID 131067332
N-(3-aminopropyl)-2,3-dimethylbut-2-enamide
CID 17937530

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide (CID 116674242) is 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide is CC(C(=O)NCC(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide?
The InChIKey is QASTUSVETWCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)4-12-10(13)8(3)9-5-11-6-9/h7,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methylpropyl)propanamide has a molecular weight of 182.27 g/mol, XLogP of 0.68, 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 116674242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).