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

C10H18N2O3 — CID 116678034

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide
SMILESCOCC(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2O3/c1-7(8-3-11-4-8)10(14)12-5-9(13)6-15-2/h9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyMOJRMLRDIVOHRC-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.97
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide (PubChem CID 116678034) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide
PubChem CID116678034
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide
SMILESCOCC(O)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2O3/c1-7(8-3-11-4-8)10(14)12-5-9(13)6-15-2/h9,11,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyMOJRMLRDIVOHRC-UHFFFAOYSA-N
XLogP-0.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-hydroxy-3-methoxypropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide (CID 116678034) is 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide is COCC(O)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide?
The InChIKey is MOJRMLRDIVOHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8-3-11-4-8)10(14)12-5-9(13)6-15-2/h9,11,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide has a molecular weight of 214.26 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)propanamide is sourced from PubChem (CID 116678034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).