2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone

C13H20N2O2 — CID 19163989

IUPAC2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNCC1=CCCC=C1)N1CCOCC1
InChIInChI=1S/C13H20N2O2/c16-13(15-6-8-17-9-7-15)11-14-10-12-4-2-1-3-5-12/h2,4-5,14H,1,3,6-11H2
InChIKeyJBQCBGADQHUGGG-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.71
Rot. Bonds4

About 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone

2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone (PubChem CID 19163989) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone
PubChem CID19163989
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNCC1=CCCC=C1)N1CCOCC1
InChIInChI=1S/C13H20N2O2/c16-13(15-6-8-17-9-7-15)11-14-10-12-4-2-1-3-5-12/h2,4-5,14H,1,3,6-11H2
InChIKeyJBQCBGADQHUGGG-UHFFFAOYSA-N
XLogP0.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone (CID 19163989) is 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone is O=C(CNCC1=CCCC=C1)N1CCOCC1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone?
The InChIKey is JBQCBGADQHUGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13(15-6-8-17-9-7-15)11-14-10-12-4-2-1-3-5-12/h2,4-5,14H,1,3,6-11H2.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone?
2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone has a molecular weight of 236.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethylamino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 19163989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).