(E)-5-aminopent-3-en-2-one;ethane

C7H15NO — CID 144571831

IUPAC(E)-5-aminopent-3-en-2-one;ethane
SMILESCC.CC(=O)/C=C/CN
InChIInChI=1S/C5H9NO.C2H6/c1-5(7)3-2-4-6;1-2/h2-3H,4,6H2,1H3;1-2H3/b3-2+;
InChIKeyOSEQOJLBVMQHQW-SQQVDAMQSA-N
MW129.20 g/mol
LogP1.12
Rot. Bonds2

About (E)-5-aminopent-3-en-2-one;ethane

(E)-5-aminopent-3-en-2-one;ethane (PubChem CID 144571831) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-5-aminopent-3-en-2-one;ethane.

Molecular Properties

Compound Name(E)-5-aminopent-3-en-2-one;ethane
PubChem CID144571831
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-5-aminopent-3-en-2-one;ethane
SMILESCC.CC(=O)/C=C/CN
InChIInChI=1S/C5H9NO.C2H6/c1-5(7)3-2-4-6;1-2/h2-3H,4,6H2,1H3;1-2H3/b3-2+;
InChIKeyOSEQOJLBVMQHQW-SQQVDAMQSA-N
XLogP1.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-aminopent-3-en-2-one;ethane?
The IUPAC name of (E)-5-aminopent-3-en-2-one;ethane (CID 144571831) is (E)-5-aminopent-3-en-2-one;ethane.
What is the SMILES notation for (E)-5-aminopent-3-en-2-one;ethane?
The canonical SMILES for (E)-5-aminopent-3-en-2-one;ethane is CC.CC(=O)/C=C/CN.
What is the InChIKey of (E)-5-aminopent-3-en-2-one;ethane?
The InChIKey is OSEQOJLBVMQHQW-SQQVDAMQSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-5(7)3-2-4-6;1-2/h2-3H,4,6H2,1H3;1-2H3/b3-2+;.
What are the key properties of (E)-5-aminopent-3-en-2-one;ethane?
(E)-5-aminopent-3-en-2-one;ethane has a molecular weight of 129.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-aminopent-3-en-2-one;ethane is sourced from PubChem (CID 144571831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).