3,4-bis(prop-2-enyl)morpholin-2-one

C10H15NO2 — CID 58105021

IUPAC3,4-bis(prop-2-enyl)morpholin-2-one
SMILESC=CCC1C(=O)OCCN1CC=C
InChIInChI=1S/C10H15NO2/c1-3-5-9-10(12)13-8-7-11(9)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyBKYKFUBZROCMMD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds4

About 3,4-bis(prop-2-enyl)morpholin-2-one

3,4-bis(prop-2-enyl)morpholin-2-one (PubChem CID 58105021) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,4-bis(prop-2-enyl)morpholin-2-one.

Molecular Properties

Compound Name3,4-bis(prop-2-enyl)morpholin-2-one
PubChem CID58105021
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3,4-bis(prop-2-enyl)morpholin-2-one
SMILESC=CCC1C(=O)OCCN1CC=C
InChIInChI=1S/C10H15NO2/c1-3-5-9-10(12)13-8-7-11(9)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyBKYKFUBZROCMMD-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,4-bis(prop-2-enyl)morpholin-2-one?
The IUPAC name of 3,4-bis(prop-2-enyl)morpholin-2-one (CID 58105021) is 3,4-bis(prop-2-enyl)morpholin-2-one.
What is the SMILES notation for 3,4-bis(prop-2-enyl)morpholin-2-one?
The canonical SMILES for 3,4-bis(prop-2-enyl)morpholin-2-one is C=CCC1C(=O)OCCN1CC=C.
What is the InChIKey of 3,4-bis(prop-2-enyl)morpholin-2-one?
The InChIKey is BKYKFUBZROCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-9-10(12)13-8-7-11(9)6-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 3,4-bis(prop-2-enyl)morpholin-2-one?
3,4-bis(prop-2-enyl)morpholin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enyl)morpholin-2-one is sourced from PubChem (CID 58105021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).