3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile

C9H15ClN2O — CID 63286707

IUPAC3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
SMILESC=C(Cl)CN(CCC#N)CCOC
InChIInChI=1S/C9H15ClN2O/c1-9(10)8-12(5-3-4-11)6-7-13-2/h1,3,5-8H2,2H3
InChIKeyXWGMUYFPAPEQPB-UHFFFAOYSA-N
MW202.68 g/mol
LogP1.60
Rot. Bonds7

About 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile

3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 63286707) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
PubChem CID63286707
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
SMILESC=C(Cl)CN(CCC#N)CCOC
InChIInChI=1S/C9H15ClN2O/c1-9(10)8-12(5-3-4-11)6-7-13-2/h1,3,5-8H2,2H3
InChIKeyXWGMUYFPAPEQPB-UHFFFAOYSA-N
XLogP1.60
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile (CID 63286707) is 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile is C=C(Cl)CN(CCC#N)CCOC.
What is the InChIKey of 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is XWGMUYFPAPEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-9(10)8-12(5-3-4-11)6-7-13-2/h1,3,5-8H2,2H3.
What are the key properties of 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 202.68 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63286707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).