2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide

C9H16N2O — CID 177013326

IUPAC2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide
SMILESC=C(CN1CCC1)C(=O)NCC
InChIInChI=1S/C9H16N2O/c1-3-10-9(12)8(2)7-11-5-4-6-11/h2-7H2,1H3,(H,10,12)
InChIKeyQAXVSKFLHSSMHE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds4

About 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide

2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide (PubChem CID 177013326) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide
PubChem CID177013326
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide
SMILESC=C(CN1CCC1)C(=O)NCC
InChIInChI=1S/C9H16N2O/c1-3-10-9(12)8(2)7-11-5-4-6-11/h2-7H2,1H3,(H,10,12)
InChIKeyQAXVSKFLHSSMHE-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
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 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide?
The IUPAC name of 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide (CID 177013326) is 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide is C=C(CN1CCC1)C(=O)NCC.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide?
The InChIKey is QAXVSKFLHSSMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-10-9(12)8(2)7-11-5-4-6-11/h2-7H2,1H3,(H,10,12).
What are the key properties of 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide?
2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 177013326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).