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

C11H20N2O2 — CID 116679032

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)C(C)CO)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-7(6-14)9(3)13-11(15)8(2)10-4-12-5-10/h7,9,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyMMKURQMFSOEFNC-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.04
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide (PubChem CID 116679032) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide
PubChem CID116679032
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)C(C)CO)=C1CNC1
InChIInChI=1S/C11H20N2O2/c1-7(6-14)9(3)13-11(15)8(2)10-4-12-5-10/h7,9,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyMMKURQMFSOEFNC-UHFFFAOYSA-N
XLogP0.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.04
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-(4-hydroxy-3-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide (CID 116679032) is 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide is CC(C(=O)NC(C)C(C)CO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide?
The InChIKey is MMKURQMFSOEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(6-14)9(3)13-11(15)8(2)10-4-12-5-10/h7,9,12,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.04, 4 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-(4-hydroxy-3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 116679032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).