2-ethyl-2,3-bis(prop-2-enyl)morpholine

C12H21NO — CID 70503386

IUPAC2-ethyl-2,3-bis(prop-2-enyl)morpholine
SMILESC=CCC1NCCOC1(CC)CC=C
InChIInChI=1S/C12H21NO/c1-4-7-11-12(6-3,8-5-2)14-10-9-13-11/h4-5,11,13H,1-2,6-10H2,3H3
InChIKeyYLAZYXLVIOYRBG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds5

About 2-ethyl-2,3-bis(prop-2-enyl)morpholine

2-ethyl-2,3-bis(prop-2-enyl)morpholine (PubChem CID 70503386) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethyl-2,3-bis(prop-2-enyl)morpholine.

Molecular Properties

Compound Name2-ethyl-2,3-bis(prop-2-enyl)morpholine
PubChem CID70503386
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-ethyl-2,3-bis(prop-2-enyl)morpholine
SMILESC=CCC1NCCOC1(CC)CC=C
InChIInChI=1S/C12H21NO/c1-4-7-11-12(6-3,8-5-2)14-10-9-13-11/h4-5,11,13H,1-2,6-10H2,3H3
InChIKeyYLAZYXLVIOYRBG-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Fluoro-2-methylpent-4-enyl)morpholine
CID 116011189
3-(2-Fluoro-2-methylbut-3-enyl)morpholine
CID 116011239
2,2-Bis(prop-2-enyl)morpholine
CID 21271343
2-Methyl-2-prop-2-enylmorpholine
CID 21429943
2-Pent-4-en-2-ylmorpholine
CID 66612517
(2S,3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
CID 68213205
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Pent-1-en-3-ylmorpholine
CID 68589735
2-Hex-1-en-3-ylmorpholine
CID 68590103
2,2,3,3-Tetrakis(prop-2-enyl)morpholine
CID 68778390
2-Ethyl-2-prop-2-enylmorpholine
CID 70214828
Azane;2-ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503385

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-bis(prop-2-enyl)morpholine?
The IUPAC name of 2-ethyl-2,3-bis(prop-2-enyl)morpholine (CID 70503386) is 2-ethyl-2,3-bis(prop-2-enyl)morpholine.
What is the SMILES notation for 2-ethyl-2,3-bis(prop-2-enyl)morpholine?
The canonical SMILES for 2-ethyl-2,3-bis(prop-2-enyl)morpholine is C=CCC1NCCOC1(CC)CC=C.
What is the InChIKey of 2-ethyl-2,3-bis(prop-2-enyl)morpholine?
The InChIKey is YLAZYXLVIOYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-7-11-12(6-3,8-5-2)14-10-9-13-11/h4-5,11,13H,1-2,6-10H2,3H3.
What are the key properties of 2-ethyl-2,3-bis(prop-2-enyl)morpholine?
2-ethyl-2,3-bis(prop-2-enyl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-bis(prop-2-enyl)morpholine is sourced from PubChem (CID 70503386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).