(4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone

C11H16N2O2 — CID 135177104

IUPAC(4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone
SMILESNC1=CCC(C(=O)N2CCOCC2)C=C1
InChIInChI=1S/C11H16N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1,3-4,9H,2,5-8,12H2
InChIKeyZRNWRDDHVUJOKS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.26
Rot. Bonds1

About (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone

(4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone (PubChem CID 135177104) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone
PubChem CID135177104
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone
SMILESNC1=CCC(C(=O)N2CCOCC2)C=C1
InChIInChI=1S/C11H16N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1,3-4,9H,2,5-8,12H2
InChIKeyZRNWRDDHVUJOKS-UHFFFAOYSA-N
XLogP0.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone (CID 135177104) is (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone is NC1=CCC(C(=O)N2CCOCC2)C=C1.
What is the InChIKey of (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone?
The InChIKey is ZRNWRDDHVUJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1,3-4,9H,2,5-8,12H2.
What are the key properties of (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone?
(4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexa-2,4-dien-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 135177104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).