(5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone

C11H16N2O2 — CID 143493354

IUPAC(5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
SMILESNC1C=CC=C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C11H16N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,10H,4-8,12H2
InChIKeyXNLLLNZZFNWXDL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.06
Rot. Bonds1

About (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone

(5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone (PubChem CID 143493354) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
PubChem CID143493354
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
SMILESNC1C=CC=C(C(=O)N2CCOCC2)C1
InChIInChI=1S/C11H16N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,10H,4-8,12H2
InChIKeyXNLLLNZZFNWXDL-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]-morpholin-4-ylmethanone
CID 68770206
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 36619986
(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-morpholin-4-ylmethanone
CID 45097220
[4-(morpholine-4-carbonyl)pyridin-1-ium-1-yl]methyl carbamate
CID 156733173
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 117213589
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
2-(morpholine-4-carbonyl)-1,3-thiazole-4-carboxamide
CID 174869573
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
[4-(morpholine-4-carbonyl)-1H-imidazol-5-yl]-morpholin-4-ylmethanone
CID 4736510

Frequently Asked Questions

What is the IUPAC name of (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone (CID 143493354) is (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone is NC1C=CC=C(C(=O)N2CCOCC2)C1.
What is the InChIKey of (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
The InChIKey is XNLLLNZZFNWXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,10H,4-8,12H2.
What are the key properties of (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
(5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone has a molecular weight of 208.26 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminocyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 143493354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).