2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone

C15H17N3O3 — CID 662696

IUPAC2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cc(C=NO)c2ccccc21)N1CCOCC1
InChIInChI=1S/C15H17N3O3/c19-15(17-5-7-21-8-6-17)11-18-10-12(9-16-20)13-3-1-2-4-14(13)18/h1-4,9-10,20H,5-8,11H2
InChIKeySHQSYDVCBLXARK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.31
Rot. Bonds3

About 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone

2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 662696) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
PubChem CID662696
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cc(C=NO)c2ccccc21)N1CCOCC1
InChIInChI=1S/C15H17N3O3/c19-15(17-5-7-21-8-6-17)11-18-10-12(9-16-20)13-3-1-2-4-14(13)18/h1-4,9-10,20H,5-8,11H2
InChIKeySHQSYDVCBLXARK-UHFFFAOYSA-N
XLogP1.31
TPSA67.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 21216082
5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3788100
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6069816
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4075467
(Z)-N-(2-chlorophenyl)-2-cyano-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enamide
CID 1279041
6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3648769
(5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 21229852
(E)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enamide
CID 21234339
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
2-(6-methyl-1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile
CID 3148331

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone (CID 662696) is 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone is O=C(Cn1cc(C=NO)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is SHQSYDVCBLXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(17-5-7-21-8-6-17)11-18-10-12(9-16-20)13-3-1-2-4-14(13)18/h1-4,9-10,20H,5-8,11H2.
What are the key properties of 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone?
2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 287.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 662696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).