2-(azetidin-3-ylidene)-N-tert-butylpropanamide

C10H18N2O — CID 116674226

IUPAC2-(azetidin-3-ylidene)-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)=C1CNC1
InChIInChI=1S/C10H18N2O/c1-7(8-5-11-6-8)9(13)12-10(2,3)4/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyHCBPIEGOSHWEQK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds1

About 2-(azetidin-3-ylidene)-N-tert-butylpropanamide

2-(azetidin-3-ylidene)-N-tert-butylpropanamide (PubChem CID 116674226) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-tert-butylpropanamide
PubChem CID116674226
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(azetidin-3-ylidene)-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)=C1CNC1
InChIInChI=1S/C10H18N2O/c1-7(8-5-11-6-8)9(13)12-10(2,3)4/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyHCBPIEGOSHWEQK-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-tert-butylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-tert-butylpropanamide (CID 116674226) is 2-(azetidin-3-ylidene)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-tert-butylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-tert-butylpropanamide?
The InChIKey is HCBPIEGOSHWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(8-5-11-6-8)9(13)12-10(2,3)4/h11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-tert-butylpropanamide?
2-(azetidin-3-ylidene)-N-tert-butylpropanamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 1 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-tert-butylpropanamide is sourced from PubChem (CID 116674226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).