2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile

C12H14N2 — CID 169473633

IUPAC2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
SMILESCNCC=Cc1cccc(C#N)c1C
InChIInChI=1S/C12H14N2/c1-10-11(7-4-8-14-2)5-3-6-12(10)9-13/h3-7,14H,8H2,1-2H3
InChIKeyOBBGQLUKYLLDGM-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile

2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile (PubChem CID 169473633) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
PubChem CID169473633
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
SMILESCNCC=Cc1cccc(C#N)c1C
InChIInChI=1S/C12H14N2/c1-10-11(7-4-8-14-2)5-3-6-12(10)9-13/h3-7,14H,8H2,1-2H3
InChIKeyOBBGQLUKYLLDGM-UHFFFAOYSA-N
XLogP2.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile?
The IUPAC name of 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile (CID 169473633) is 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile.
What is the SMILES notation for 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile?
The canonical SMILES for 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile is CNCC=Cc1cccc(C#N)c1C.
What is the InChIKey of 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile?
The InChIKey is OBBGQLUKYLLDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10-11(7-4-8-14-2)5-3-6-12(10)9-13/h3-7,14H,8H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile?
2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile is sourced from PubChem (CID 169473633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).