2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C12H22N2O2 — CID 106349771

IUPAC2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C(=O)NC(CCO)C(C)C)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-8(2)11(4-5-15)14-12(16)9(3)10-6-13-7-10/h8,11,13,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyLUPSTNINAHKLET-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.43
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 106349771) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID106349771
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C(=O)NC(CCO)C(C)C)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-8(2)11(4-5-15)14-12(16)9(3)10-6-13-7-10/h8,11,13,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyLUPSTNINAHKLET-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
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-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 106349771) is 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C(=O)NC(CCO)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is LUPSTNINAHKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)11(4-5-15)14-12(16)9(3)10-6-13-7-10/h8,11,13,15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 226.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 106349771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).