(3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone

C13H21NO2 — CID 134547148

IUPAC(3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone
SMILESCCC1=CCC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H21NO2/c1-3-11-4-5-13(2,10-11)12(15)14-6-8-16-9-7-14/h4H,3,5-10H2,1-2H3
InChIKeyUVQNWYRMEZRWJR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds2

About (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone

(3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone (PubChem CID 134547148) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone
PubChem CID134547148
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone
SMILESCCC1=CCC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H21NO2/c1-3-11-4-5-13(2,10-11)12(15)14-6-8-16-9-7-14/h4H,3,5-10H2,1-2H3
InChIKeyUVQNWYRMEZRWJR-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
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 (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone (CID 134547148) is (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone is CCC1=CCC(C)(C(=O)N2CCOCC2)C1.
What is the InChIKey of (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone?
The InChIKey is UVQNWYRMEZRWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11-4-5-13(2,10-11)12(15)14-6-8-16-9-7-14/h4H,3,5-10H2,1-2H3.
What are the key properties of (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone?
(3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone has a molecular weight of 223.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 134547148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).