2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide

C10H16N2O2 — CID 116678511

IUPAC2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCOC1)=C1CNC1
InChIInChI=1S/C10H16N2O2/c1-7(8-4-11-5-8)10(13)12-9-2-3-14-6-9/h9,11H,2-6H2,1H3,(H,12,13)
InChIKeyKQGHFUVVNAIGQA-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.19
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide

2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide (PubChem CID 116678511) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide
PubChem CID116678511
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCOC1)=C1CNC1
InChIInChI=1S/C10H16N2O2/c1-7(8-4-11-5-8)10(13)12-9-2-3-14-6-9/h9,11H,2-6H2,1H3,(H,12,13)
InChIKeyKQGHFUVVNAIGQA-UHFFFAOYSA-N
XLogP-0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(oxolan-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide (CID 116678511) is 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide is CC(C(=O)NC1CCOC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide?
The InChIKey is KQGHFUVVNAIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(8-4-11-5-8)10(13)12-9-2-3-14-6-9/h9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide?
2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 116678511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).