4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one

C11H17NO2 — CID 144688284

IUPAC4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CCC1OCCN(CC2CC2)C1=O
InChIInChI=1S/C11H17NO2/c1-2-3-10-11(13)12(6-7-14-10)8-9-4-5-9/h2,9-10H,1,3-8H2
InChIKeyKIWUMKDYCOHKKD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.20
Rot. Bonds4

About 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one

4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one (PubChem CID 144688284) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
PubChem CID144688284
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CCC1OCCN(CC2CC2)C1=O
InChIInChI=1S/C11H17NO2/c1-2-3-10-11(13)12(6-7-14-10)8-9-4-5-9/h2,9-10H,1,3-8H2
InChIKeyKIWUMKDYCOHKKD-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.20
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 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one (CID 144688284) is 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one is C=CCC1OCCN(CC2CC2)C1=O.
What is the InChIKey of 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one?
The InChIKey is KIWUMKDYCOHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-10-11(13)12(6-7-14-10)8-9-4-5-9/h2,9-10H,1,3-8H2.
What are the key properties of 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one?
4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 144688284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).