3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one

C14H14N2O3 — CID 89153263

IUPAC3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one
SMILESC=C1C(=O)Nc2ccc(C(=O)N3CCOCC3)cc21
InChIInChI=1S/C14H14N2O3/c1-9-11-8-10(2-3-12(11)15-13(9)17)14(18)16-4-6-19-7-5-16/h2-3,8H,1,4-7H2,(H,15,17)
InChIKeyDWCOGWKQCWKVEK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.12
Rot. Bonds1

About 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one

3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one (PubChem CID 89153263) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one
PubChem CID89153263
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one
SMILESC=C1C(=O)Nc2ccc(C(=O)N3CCOCC3)cc21
InChIInChI=1S/C14H14N2O3/c1-9-11-8-10(2-3-12(11)15-13(9)17)14(18)16-4-6-19-7-5-16/h2-3,8H,1,4-7H2,(H,15,17)
InChIKeyDWCOGWKQCWKVEK-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-6-(morpholine-4-carbonyl)-1,3-dihydroquinolin-2-one
CID 91946268
(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296884
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
7-(morpholine-4-carbonyl)-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 22427117
2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
CID 4521443
(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-morpholin-4-ylmethanone
CID 102567774
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-carboxamide
CID 123771401
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296703

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one?
The IUPAC name of 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one (CID 89153263) is 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one.
What is the SMILES notation for 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one?
The canonical SMILES for 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one is C=C1C(=O)Nc2ccc(C(=O)N3CCOCC3)cc21.
What is the InChIKey of 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one?
The InChIKey is DWCOGWKQCWKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-11-8-10(2-3-12(11)15-13(9)17)14(18)16-4-6-19-7-5-16/h2-3,8H,1,4-7H2,(H,15,17).
What are the key properties of 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one?
3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one is sourced from PubChem (CID 89153263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).