N-(azetidin-3-yl)-3-methylbut-2-enamide

C8H14N2O — CID 66185588

IUPACN-(azetidin-3-yl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CNC1
InChIInChI=1S/C8H14N2O/c1-6(2)3-8(11)10-7-4-9-5-7/h3,7,9H,4-5H2,1-2H3,(H,10,11)
InChIKeyZMFPVDPUSPWEMH-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.04
Rot. Bonds2

About N-(azetidin-3-yl)-3-methylbut-2-enamide

N-(azetidin-3-yl)-3-methylbut-2-enamide (PubChem CID 66185588) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methylbut-2-enamide
PubChem CID66185588
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(azetidin-3-yl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CNC1
InChIInChI=1S/C8H14N2O/c1-6(2)3-8(11)10-7-4-9-5-7/h3,7,9H,4-5H2,1-2H3,(H,10,11)
InChIKeyZMFPVDPUSPWEMH-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(azetidin-3-yl)-3-methylbut-2-enamide?
The IUPAC name of N-(azetidin-3-yl)-3-methylbut-2-enamide (CID 66185588) is N-(azetidin-3-yl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-methylbut-2-enamide?
The canonical SMILES for N-(azetidin-3-yl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-methylbut-2-enamide?
The InChIKey is ZMFPVDPUSPWEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)3-8(11)10-7-4-9-5-7/h3,7,9H,4-5H2,1-2H3,(H,10,11).
What are the key properties of N-(azetidin-3-yl)-3-methylbut-2-enamide?
N-(azetidin-3-yl)-3-methylbut-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-methylbut-2-enamide is sourced from PubChem (CID 66185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).