2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone

C15H20N2O2 — CID 66395230

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNCC1Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-15(17-5-7-19-8-6-17)11-16-10-13-9-12-3-1-2-4-14(12)13/h1-4,13,16H,5-11H2
InChIKeyMZJIEPNWVXFVTM-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.77
Rot. Bonds4

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone (PubChem CID 66395230) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
PubChem CID66395230
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNCC1Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-15(17-5-7-19-8-6-17)11-16-10-13-9-12-3-1-2-4-14(12)13/h1-4,13,16H,5-11H2
InChIKeyMZJIEPNWVXFVTM-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxane-4-carboxamide
CID 115294070
3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one
CID 82159881
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide
CID 66396783
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-butylacetamide
CID 66396017
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2-difluoroethanamine
CID 66396572
1-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823466
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 66396772
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 75427921
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone (CID 66395230) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone is O=C(CNCC1Cc2ccccc21)N1CCOCC1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone?
The InChIKey is MZJIEPNWVXFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(17-5-7-19-8-6-17)11-16-10-13-9-12-3-1-2-4-14(12)13/h1-4,13,16H,5-11H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone has a molecular weight of 260.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 66395230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).