3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile

C8H14N2O — CID 62534748

IUPAC3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile
SMILESC=CCNC(C)(C#N)COC
InChIInChI=1S/C8H14N2O/c1-4-5-10-8(2,6-9)7-11-3/h4,10H,1,5,7H2,2-3H3
InChIKeyWKFHQJXVLDUTGL-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds5

About 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile

3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile (PubChem CID 62534748) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile
PubChem CID62534748
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile
SMILESC=CCNC(C)(C#N)COC
InChIInChI=1S/C8H14N2O/c1-4-5-10-8(2,6-9)7-11-3/h4,10H,1,5,7H2,2-3H3
InChIKeyWKFHQJXVLDUTGL-UHFFFAOYSA-N
XLogP0.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile?
The IUPAC name of 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile (CID 62534748) is 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile.
What is the SMILES notation for 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile?
The canonical SMILES for 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile is C=CCNC(C)(C#N)COC.
What is the InChIKey of 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile?
The InChIKey is WKFHQJXVLDUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-10-8(2,6-9)7-11-3/h4,10H,1,5,7H2,2-3H3.
What are the key properties of 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile?
3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(prop-2-enylamino)propanenitrile is sourced from PubChem (CID 62534748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).