2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide

C8H14N2O2 — CID 116674755

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)NCCO)=C1CNC1
InChIInChI=1S/C8H14N2O2/c1-6(7-4-9-5-7)8(12)10-2-3-11/h9,11H,2-5H2,1H3,(H,10,12)
InChIKeyYADHTONTXNBPHF-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.99
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide

2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide (PubChem CID 116674755) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide
PubChem CID116674755
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)NCCO)=C1CNC1
InChIInChI=1S/C8H14N2O2/c1-6(7-4-9-5-7)8(12)10-2-3-11/h9,11H,2-5H2,1H3,(H,10,12)
InChIKeyYADHTONTXNBPHF-UHFFFAOYSA-N
XLogP-0.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.99
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-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide (CID 116674755) is 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide is CC(C(=O)NCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide?
The InChIKey is YADHTONTXNBPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(7-4-9-5-7)8(12)10-2-3-11/h9,11H,2-5H2,1H3,(H,10,12).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)propanamide has a molecular weight of 170.21 g/mol, XLogP of -0.99, 3 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-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 116674755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).