(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one

C14H16N2O3 — CID 113196375

IUPAC(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\N1CCOCC1)C(=O)N2
InChIInChI=1S/C14H16N2O3/c1-18-10-2-3-13-11(8-10)12(14(17)15-13)9-16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)/b12-9+
InChIKeyPDSXUZKFRHBLFZ-FMIVXFBMSA-N
MW260.29 g/mol
LogP1.32
Rot. Bonds2

About (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one

(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one (PubChem CID 113196375) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
PubChem CID113196375
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\N1CCOCC1)C(=O)N2
InChIInChI=1S/C14H16N2O3/c1-18-10-2-3-13-11(8-10)12(14(17)15-13)9-16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)/b12-9+
InChIKeyPDSXUZKFRHBLFZ-FMIVXFBMSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-1H-indol-2-one
CID 113196426
(3Z)-5-methoxy-3-[[3-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 25218046
(4E)-7-methoxy-2-(4-methoxyphenyl)-4-(morpholin-4-ylmethylidene)isoquinoline-1,3-dione
CID 99863968
7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione
CID 4306547
(5E)-1-(3-methoxyphenyl)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 73253710
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
2-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 66606630
5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
CID 78015916
3-[1-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-4-methylpyrrol-3-yl]propanoic acid
CID 57120196
3-[[2-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
CID 78015917
(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155184
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one (CID 113196375) is (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one is COc1ccc2c(c1)/C(=C\N1CCOCC1)C(=O)N2.
What is the InChIKey of (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one?
The InChIKey is PDSXUZKFRHBLFZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-10-2-3-13-11(8-10)12(14(17)15-13)9-16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)/b12-9+.
What are the key properties of (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one?
(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 113196375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).