1-(methylamino)-5-(oxiran-2-yl)pentan-3-one

C8H15NO2 — CID 165461836

IUPAC1-(methylamino)-5-(oxiran-2-yl)pentan-3-one
SMILESCNCCC(=O)CCC1CO1
InChIInChI=1S/C8H15NO2/c1-9-5-4-7(10)2-3-8-6-11-8/h8-9H,2-6H2,1H3
InChIKeyVYFQARJWHZECJA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds6

About 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one

1-(methylamino)-5-(oxiran-2-yl)pentan-3-one (PubChem CID 165461836) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(methylamino)-5-(oxiran-2-yl)pentan-3-one
PubChem CID165461836
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(methylamino)-5-(oxiran-2-yl)pentan-3-one
SMILESCNCCC(=O)CCC1CO1
InChIInChI=1S/C8H15NO2/c1-9-5-4-7(10)2-3-8-6-11-8/h8-9H,2-6H2,1H3
InChIKeyVYFQARJWHZECJA-UHFFFAOYSA-N
XLogP0.34
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one?
The IUPAC name of 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one (CID 165461836) is 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one.
What is the SMILES notation for 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one?
The canonical SMILES for 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one is CNCCC(=O)CCC1CO1.
What is the InChIKey of 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one?
The InChIKey is VYFQARJWHZECJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-5-4-7(10)2-3-8-6-11-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one?
1-(methylamino)-5-(oxiran-2-yl)pentan-3-one has a molecular weight of 157.21 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-5-(oxiran-2-yl)pentan-3-one is sourced from PubChem (CID 165461836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).