4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine

C12H21NO — CID 88983640

IUPAC4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine
SMILESCCC1C=CC(CN2CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-2-11-3-4-12(9-11)10-13-5-7-14-8-6-13/h3-4,11-12H,2,5-10H2,1H3
InChIKeyUFBVNOKRTWJFFL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.92
Rot. Bonds3

About 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine

4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine (PubChem CID 88983640) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine
PubChem CID88983640
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine
SMILESCCC1C=CC(CN2CCOCC2)C1
InChIInChI=1S/C12H21NO/c1-2-11-3-4-12(9-11)10-13-5-7-14-8-6-13/h3-4,11-12H,2,5-10H2,1H3
InChIKeyUFBVNOKRTWJFFL-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine (CID 88983640) is 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine is CCC1C=CC(CN2CCOCC2)C1.
What is the InChIKey of 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine?
The InChIKey is UFBVNOKRTWJFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-11-3-4-12(9-11)10-13-5-7-14-8-6-13/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine?
4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine has a molecular weight of 195.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclopent-2-en-1-yl)methyl]morpholine is sourced from PubChem (CID 88983640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).