4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine

C17H29NO — CID 134966207

IUPAC4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine
SMILESCCC1=C(CC)C(N2CCOCC2)C(CC)=C1CC
InChIInChI=1S/C17H29NO/c1-5-13-14(6-2)16(8-4)17(15(13)7-3)18-9-11-19-12-10-18/h17H,5-12H2,1-4H3
InChIKeyJYLAMSDRDZNNOY-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.93
Rot. Bonds5

About 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine

4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine (PubChem CID 134966207) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine
PubChem CID134966207
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine
SMILESCCC1=C(CC)C(N2CCOCC2)C(CC)=C1CC
InChIInChI=1S/C17H29NO/c1-5-13-14(6-2)16(8-4)17(15(13)7-3)18-9-11-19-12-10-18/h17H,5-12H2,1-4H3
InChIKeyJYLAMSDRDZNNOY-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine?
The IUPAC name of 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine (CID 134966207) is 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine.
What is the SMILES notation for 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine?
The canonical SMILES for 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine is CCC1=C(CC)C(N2CCOCC2)C(CC)=C1CC.
What is the InChIKey of 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine?
The InChIKey is JYLAMSDRDZNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-13-14(6-2)16(8-4)17(15(13)7-3)18-9-11-19-12-10-18/h17H,5-12H2,1-4H3.
What are the key properties of 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine?
4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine has a molecular weight of 263.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)morpholine is sourced from PubChem (CID 134966207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).