(E)-3-amino-2-methylprop-2-enal;propane

C7H15NO — CID 142388236

IUPAC(E)-3-amino-2-methylprop-2-enal;propane
SMILESC/C(C=O)=C\N.CCC
InChIInChI=1S/C4H7NO.C3H8/c1-4(2-5)3-6;1-3-2/h2-3H,5H2,1H3;3H2,1-2H3/b4-2+;
InChIKeyASGQMWZMHGOXFO-VEELZWTKSA-N
MW129.20 g/mol
LogP1.46
Rot. Bonds1

About (E)-3-amino-2-methylprop-2-enal;propane

(E)-3-amino-2-methylprop-2-enal;propane (PubChem CID 142388236) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-3-amino-2-methylprop-2-enal;propane.

Molecular Properties

Compound Name(E)-3-amino-2-methylprop-2-enal;propane
PubChem CID142388236
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-3-amino-2-methylprop-2-enal;propane
SMILESC/C(C=O)=C\N.CCC
InChIInChI=1S/C4H7NO.C3H8/c1-4(2-5)3-6;1-3-2/h2-3H,5H2,1H3;3H2,1-2H3/b4-2+;
InChIKeyASGQMWZMHGOXFO-VEELZWTKSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-methylprop-2-enal;propane?
The IUPAC name of (E)-3-amino-2-methylprop-2-enal;propane (CID 142388236) is (E)-3-amino-2-methylprop-2-enal;propane.
What is the SMILES notation for (E)-3-amino-2-methylprop-2-enal;propane?
The canonical SMILES for (E)-3-amino-2-methylprop-2-enal;propane is C/C(C=O)=C\N.CCC.
What is the InChIKey of (E)-3-amino-2-methylprop-2-enal;propane?
The InChIKey is ASGQMWZMHGOXFO-VEELZWTKSA-N. The full InChI is InChI=1S/C4H7NO.C3H8/c1-4(2-5)3-6;1-3-2/h2-3H,5H2,1H3;3H2,1-2H3/b4-2+;.
What are the key properties of (E)-3-amino-2-methylprop-2-enal;propane?
(E)-3-amino-2-methylprop-2-enal;propane has a molecular weight of 129.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-methylprop-2-enal;propane is sourced from PubChem (CID 142388236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).