(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one

C16H14N2O2 — CID 134593398

IUPAC(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
SMILESCONc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-20-18-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)19/h2-10,18H,1H3,(H,17,19)/b14-10+
InChIKeyBADMZXGTLQNPQS-GXDHUFHOSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds3

About (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one

(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one (PubChem CID 134593398) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
PubChem CID134593398
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
SMILESCONc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-20-18-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)19/h2-10,18H,1H3,(H,17,19)/b14-10+
InChIKeyBADMZXGTLQNPQS-GXDHUFHOSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
N-[3-[2-methoxy-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]phenyl]acetamide
CID 22500237
(3Z)-3-(1H-pyrrol-3-ylmethylidene)-1H-indol-2-one
CID 171989370

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one (CID 134593398) is (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one is CONc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is BADMZXGTLQNPQS-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-18-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)17-16(14)19/h2-10,18H,1H3,(H,17,19)/b14-10+.
What are the key properties of (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one?
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 134593398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).