1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one

C12H14N2O — CID 77061668

IUPAC1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one
SMILESNC1CN(C(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C12H14N2O/c13-11-8-14(9-11)12(15)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9,13H2
InChIKeyIDDTXYGGEQCPIV-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.87
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one

1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 77061668) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID77061668
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one
SMILESNC1CN(C(=O)C=Cc2ccccc2)C1
InChIInChI=1S/C12H14N2O/c13-11-8-14(9-11)12(15)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9,13H2
InChIKeyIDDTXYGGEQCPIV-UHFFFAOYSA-N
XLogP0.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.87
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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Related Compounds

1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 61295900
1-(3-aminoazetidin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 77061686
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 78989359
(E)-1-(3-aminoazetidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 121200505
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 92926170
3-phenyl-1-(3,4,5-trimethoxypiperazin-1-yl)prop-2-en-1-one
CID 67871205
(E)-1-(3-azidoazetidin-1-yl)-3-phenylprop-2-en-1-one
CID 121200458
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylprop-2-en-1-one
CID 61234050
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
CID 73168133
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one (CID 77061668) is 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one is NC1CN(C(=O)C=Cc2ccccc2)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is IDDTXYGGEQCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-11-8-14(9-11)12(15)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9,13H2.
What are the key properties of 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one?
1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 202.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 77061668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).