2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one

C16H13NO2 — CID 4773519

IUPAC2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one
SMILESCOc1cccc(C=C2Nc3ccccc3C2=O)c1
InChIInChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)10-15-16(18)13-7-2-3-8-14(13)17-15/h2-10,17H,1H3
InChIKeyRSAKRVPVLDSJQN-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.34
Rot. Bonds2

About 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one

2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one (PubChem CID 4773519) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one
PubChem CID4773519
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one
SMILESCOc1cccc(C=C2Nc3ccccc3C2=O)c1
InChIInChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)10-15-16(18)13-7-2-3-8-14(13)17-15/h2-10,17H,1H3
InChIKeyRSAKRVPVLDSJQN-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.34
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

(2Z)-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]-1H-indol-3-one
CID 162535752
(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one
CID 6051558
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 70294296
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(11aS)-3-[(3-methoxyphenyl)methylidene]-11,11a-dihydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
CID 71964007
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
CID 2728586
1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 76801340
(5Z)-5-[(3-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873247
(3E,5E)-1-benzyl-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 2388260
7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
CID 134873971

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one?
The IUPAC name of 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one (CID 4773519) is 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one is COc1cccc(C=C2Nc3ccccc3C2=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one?
The InChIKey is RSAKRVPVLDSJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)10-15-16(18)13-7-2-3-8-14(13)17-15/h2-10,17H,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one?
2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one has a molecular weight of 251.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylidene]-1H-indol-3-one is sourced from PubChem (CID 4773519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).