2-(cyclobuten-1-yl)-2-ethylmorpholine

C10H17NO — CID 174588638

IUPAC2-(cyclobuten-1-yl)-2-ethylmorpholine
SMILESCCC1(C2=CCC2)CNCCO1
InChIInChI=1S/C10H17NO/c1-2-10(9-4-3-5-9)8-11-6-7-12-10/h4,11H,2-3,5-8H2,1H3
InChIKeyXDGQUTXGDLZEOR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.48
Rot. Bonds2

About 2-(cyclobuten-1-yl)-2-ethylmorpholine

2-(cyclobuten-1-yl)-2-ethylmorpholine (PubChem CID 174588638) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(cyclobuten-1-yl)-2-ethylmorpholine.

Molecular Properties

Compound Name2-(cyclobuten-1-yl)-2-ethylmorpholine
PubChem CID174588638
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(cyclobuten-1-yl)-2-ethylmorpholine
SMILESCCC1(C2=CCC2)CNCCO1
InChIInChI=1S/C10H17NO/c1-2-10(9-4-3-5-9)8-11-6-7-12-10/h4,11H,2-3,5-8H2,1H3
InChIKeyXDGQUTXGDLZEOR-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.48
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

1-Cyclopentenylmorpholine
CID 21924037
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-But-1-enyl-2-propylmorpholine
CID 68588047
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
2-But-1-enyl-2-butylmorpholine
CID 68588532
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550
2-Hex-3-en-3-ylmorpholine
CID 68590552
(4E)-3-ethyl-4-ethylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428982
(1R,5S)-7-tert-butyl-9-oxa-3-azabicyclo[3.3.1]non-6-ene
CID 156352648
(7R)-4,7-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575137

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobuten-1-yl)-2-ethylmorpholine?
The IUPAC name of 2-(cyclobuten-1-yl)-2-ethylmorpholine (CID 174588638) is 2-(cyclobuten-1-yl)-2-ethylmorpholine.
What is the SMILES notation for 2-(cyclobuten-1-yl)-2-ethylmorpholine?
The canonical SMILES for 2-(cyclobuten-1-yl)-2-ethylmorpholine is CCC1(C2=CCC2)CNCCO1.
What is the InChIKey of 2-(cyclobuten-1-yl)-2-ethylmorpholine?
The InChIKey is XDGQUTXGDLZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-10(9-4-3-5-9)8-11-6-7-12-10/h4,11H,2-3,5-8H2,1H3.
What are the key properties of 2-(cyclobuten-1-yl)-2-ethylmorpholine?
2-(cyclobuten-1-yl)-2-ethylmorpholine has a molecular weight of 167.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-yl)-2-ethylmorpholine is sourced from PubChem (CID 174588638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).