3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one

C18H15NO3 — CID 135401494

IUPAC3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one
SMILESCOc1ccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-11(19-12-7-9-13(22-2)10-8-12)16-17(20)14-5-3-4-6-15(14)18(16)21/h3-10,20H,1-2H3/b19-11+
InChIKeyRLTDICOIKFBNMT-YBFXNURJSA-N
MW293.32 g/mol
LogP3.95
Rot. Bonds3

About 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one

3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one (PubChem CID 135401494) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one
PubChem CID135401494
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one
SMILESCOc1ccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-11(19-12-7-9-13(22-2)10-8-12)16-17(20)14-5-3-4-6-15(14)18(16)21/h3-10,20H,1-2H3/b19-11+
InChIKeyRLTDICOIKFBNMT-YBFXNURJSA-N
XLogP3.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methoxyphenyl)indol-3-one
CID 2308516
10-(4-Methoxyphenyl)iminoanthracen-9-one
CID 56682052
5-Methoxy-2-(4-Methoxyphenyl)-3h-Indol-3-One
CID 86288912
2-[1-(2-Methoxyanilino)ethylidene]-5-phenylcyclohexane-1,3-dione
CID 135438901
2-[1-(4-Ethoxy-phenylamino)-ethylidene]-indan-1,3-dione
CID 135411297
2-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)-2-[(4-methoxybenzyl)amino]acetonitrile
CID 135418989
6-(4-Methoxyphenyl)imino-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-one
CID 396838
5-Methoxy-2-phenyl-indol-3-one
CID 86288911
2-[1-(4-Methoxyphenyl)iminoethyl]indene-1,3-dione
CID 335122
5-Methoxy-3-oxo-2-phenyl-3H-indole 1-Oxide
CID 25230158
5-Methoxy-3-oxo-2-(p-tolyl)-3H-indole 1-Oxide
CID 25230236
5-Methoxy-2-(4-methoxyphenyl)-3-oxo-3H-indole 1-Oxide
CID 25230386

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one (CID 135401494) is 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one is COc1ccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one?
The InChIKey is RLTDICOIKFBNMT-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11(19-12-7-9-13(22-2)10-8-12)16-17(20)14-5-3-4-6-15(14)18(16)21/h3-10,20H,1-2H3/b19-11+.
What are the key properties of 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one?
3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one has a molecular weight of 293.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]inden-1-one is sourced from PubChem (CID 135401494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).