3-(2,3-dimethylpent-2-enyl)morpholine

C11H21NO — CID 104855430

IUPAC3-(2,3-dimethylpent-2-enyl)morpholine
SMILESCCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C11H21NO/c1-4-9(2)10(3)7-11-8-13-6-5-12-11/h11-12H,4-8H2,1-3H3
InChIKeyXFGSFAXYBHIAGT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds3

About 3-(2,3-dimethylpent-2-enyl)morpholine

3-(2,3-dimethylpent-2-enyl)morpholine (PubChem CID 104855430) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(2,3-dimethylpent-2-enyl)morpholine.

Molecular Properties

Compound Name3-(2,3-dimethylpent-2-enyl)morpholine
PubChem CID104855430
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(2,3-dimethylpent-2-enyl)morpholine
SMILESCCC(C)=C(C)CC1COCCN1
InChIInChI=1S/C11H21NO/c1-4-9(2)10(3)7-11-8-13-6-5-12-11/h11-12H,4-8H2,1-3H3
InChIKeyXFGSFAXYBHIAGT-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 3-(2,3-dimethylpent-2-enyl)morpholine?
The IUPAC name of 3-(2,3-dimethylpent-2-enyl)morpholine (CID 104855430) is 3-(2,3-dimethylpent-2-enyl)morpholine.
What is the SMILES notation for 3-(2,3-dimethylpent-2-enyl)morpholine?
The canonical SMILES for 3-(2,3-dimethylpent-2-enyl)morpholine is CCC(C)=C(C)CC1COCCN1.
What is the InChIKey of 3-(2,3-dimethylpent-2-enyl)morpholine?
The InChIKey is XFGSFAXYBHIAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(2)10(3)7-11-8-13-6-5-12-11/h11-12H,4-8H2,1-3H3.
What are the key properties of 3-(2,3-dimethylpent-2-enyl)morpholine?
3-(2,3-dimethylpent-2-enyl)morpholine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpent-2-enyl)morpholine is sourced from PubChem (CID 104855430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).