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

C10H18N2O2 — CID 116678156

IUPAC2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCC(C(=O)NCC(C)CO)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(6-13)3-12-10(14)8(2)9-4-11-5-9/h7,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyIBIXVROSFWFPGB-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.35
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide (PubChem CID 116678156) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide
PubChem CID116678156
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCC(C(=O)NCC(C)CO)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-7(6-13)3-12-10(14)8(2)9-4-11-5-9/h7,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyIBIXVROSFWFPGB-UHFFFAOYSA-N
XLogP-0.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.35
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-(3-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide (CID 116678156) is 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide is CC(C(=O)NCC(C)CO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide?
The InChIKey is IBIXVROSFWFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(6-13)3-12-10(14)8(2)9-4-11-5-9/h7,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-hydroxy-2-methylpropyl)propanamide has a molecular weight of 198.27 g/mol, XLogP of -0.35, 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-(3-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 116678156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).