(2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one

C12H19NO2 — CID 144688084

IUPAC(2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@H]1OCCN(CC2CCC2)C1=O
InChIInChI=1S/C12H19NO2/c1-2-4-11-12(14)13(7-8-15-11)9-10-5-3-6-10/h2,10-11H,1,3-9H2/t11-/m1/s1
InChIKeyRIQKOIHZLJUNPF-LLVKDONJSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds4

About (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one

(2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one (PubChem CID 144688084) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one
PubChem CID144688084
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@H]1OCCN(CC2CCC2)C1=O
InChIInChI=1S/C12H19NO2/c1-2-4-11-12(14)13(7-8-15-11)9-10-5-3-6-10/h2,10-11H,1,3-9H2/t11-/m1/s1
InChIKeyRIQKOIHZLJUNPF-LLVKDONJSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one (CID 144688084) is (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one is C=CC[C@H]1OCCN(CC2CCC2)C1=O.
What is the InChIKey of (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one?
The InChIKey is RIQKOIHZLJUNPF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-4-11-12(14)13(7-8-15-11)9-10-5-3-6-10/h2,10-11H,1,3-9H2/t11-/m1/s1.
What are the key properties of (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one?
(2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(cyclobutylmethyl)-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 144688084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).