4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide

C9H16N2O2 — CID 154079867

IUPAC4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide
SMILESCOCC1CCN1CC=CC(N)=O
InChIInChI=1S/C9H16N2O2/c1-13-7-8-4-6-11(8)5-2-3-9(10)12/h2-3,8H,4-7H2,1H3,(H2,10,12)
InChIKeyCUKDNEGYIKEZRE-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.25
Rot. Bonds5

About 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide

4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide (PubChem CID 154079867) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide.

Molecular Properties

Compound Name4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide
PubChem CID154079867
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide
SMILESCOCC1CCN1CC=CC(N)=O
InChIInChI=1S/C9H16N2O2/c1-13-7-8-4-6-11(8)5-2-3-9(10)12/h2-3,8H,4-7H2,1H3,(H2,10,12)
InChIKeyCUKDNEGYIKEZRE-UHFFFAOYSA-N
XLogP-0.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
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 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide?
The IUPAC name of 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide (CID 154079867) is 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide.
What is the SMILES notation for 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide?
The canonical SMILES for 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide is COCC1CCN1CC=CC(N)=O.
What is the InChIKey of 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide?
The InChIKey is CUKDNEGYIKEZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-7-8-4-6-11(8)5-2-3-9(10)12/h2-3,8H,4-7H2,1H3,(H2,10,12).
What are the key properties of 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide?
4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)azetidin-1-yl]but-2-enamide is sourced from PubChem (CID 154079867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).