2-amino-3-prop-2-enoxypropanenitrile

C6H10N2O — CID 19739900

IUPAC2-amino-3-prop-2-enoxypropanenitrile
SMILESC=CCOCC(N)C#N
InChIInChI=1S/C6H10N2O/c1-2-3-9-5-6(8)4-7/h2,6H,1,3,5,8H2
InChIKeyJKVULFXCDZYPER-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.04
Rot. Bonds4

About 2-amino-3-prop-2-enoxypropanenitrile

2-amino-3-prop-2-enoxypropanenitrile (PubChem CID 19739900) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-amino-3-prop-2-enoxypropanenitrile.

Molecular Properties

Compound Name2-amino-3-prop-2-enoxypropanenitrile
PubChem CID19739900
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-amino-3-prop-2-enoxypropanenitrile
SMILESC=CCOCC(N)C#N
InChIInChI=1S/C6H10N2O/c1-2-3-9-5-6(8)4-7/h2,6H,1,3,5,8H2
InChIKeyJKVULFXCDZYPER-UHFFFAOYSA-N
XLogP0.04
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-prop-2-enoxypropanenitrile?
The IUPAC name of 2-amino-3-prop-2-enoxypropanenitrile (CID 19739900) is 2-amino-3-prop-2-enoxypropanenitrile.
What is the SMILES notation for 2-amino-3-prop-2-enoxypropanenitrile?
The canonical SMILES for 2-amino-3-prop-2-enoxypropanenitrile is C=CCOCC(N)C#N.
What is the InChIKey of 2-amino-3-prop-2-enoxypropanenitrile?
The InChIKey is JKVULFXCDZYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-9-5-6(8)4-7/h2,6H,1,3,5,8H2.
What are the key properties of 2-amino-3-prop-2-enoxypropanenitrile?
2-amino-3-prop-2-enoxypropanenitrile has a molecular weight of 126.16 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-prop-2-enoxypropanenitrile is sourced from PubChem (CID 19739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).