2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile

C12H15N3 — CID 121209808

IUPAC2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile
SMILESCNC1CN(C(C#N)c2ccccc2)C1
InChIInChI=1S/C12H15N3/c1-14-11-8-15(9-11)12(7-13)10-5-3-2-4-6-10/h2-6,11-12,14H,8-9H2,1H3
InChIKeyHOOZZYYSRSFJSZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.15
Rot. Bonds3

About 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile

2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile (PubChem CID 121209808) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile
PubChem CID121209808
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile
SMILESCNC1CN(C(C#N)c2ccccc2)C1
InChIInChI=1S/C12H15N3/c1-14-11-8-15(9-11)12(7-13)10-5-3-2-4-6-10/h2-6,11-12,14H,8-9H2,1H3
InChIKeyHOOZZYYSRSFJSZ-UHFFFAOYSA-N
XLogP1.15
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile (CID 121209808) is 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile is CNC1CN(C(C#N)c2ccccc2)C1.
What is the InChIKey of 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile?
The InChIKey is HOOZZYYSRSFJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-14-11-8-15(9-11)12(7-13)10-5-3-2-4-6-10/h2-6,11-12,14H,8-9H2,1H3.
What are the key properties of 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile?
2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)azetidin-1-yl]-2-phenylacetonitrile is sourced from PubChem (CID 121209808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).