(3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one

C16H17N3O2 — CID 71154928

IUPAC(3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCc1ncc(/C=C2\C(=O)Nc3ccc(OC(C)C)cc32)[nH]1
InChIInChI=1S/C16H17N3O2/c1-9(2)21-12-4-5-15-13(7-12)14(16(20)19-15)6-11-8-17-10(3)18-11/h4-9H,1-3H3,(H,17,18)(H,19,20)/b14-6-
InChIKeyYOXUFOOPPHHGER-NSIKDUERSA-N
MW283.33 g/mol
LogP3.00
Rot. Bonds3

About (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one

(3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one (PubChem CID 71154928) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one
PubChem CID71154928
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCc1ncc(/C=C2\C(=O)Nc3ccc(OC(C)C)cc32)[nH]1
InChIInChI=1S/C16H17N3O2/c1-9(2)21-12-4-5-15-13(7-12)14(16(20)19-15)6-11-8-17-10(3)18-11/h4-9H,1-3H3,(H,17,18)(H,19,20)/b14-6-
InChIKeyYOXUFOOPPHHGER-NSIKDUERSA-N
XLogP3.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one (CID 71154928) is (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one is Cc1ncc(/C=C2\C(=O)Nc3ccc(OC(C)C)cc32)[nH]1.
What is the InChIKey of (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The InChIKey is YOXUFOOPPHHGER-NSIKDUERSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9(2)21-12-4-5-15-13(7-12)14(16(20)19-15)6-11-8-17-10(3)18-11/h4-9H,1-3H3,(H,17,18)(H,19,20)/b14-6-.
What are the key properties of (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
(3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-methyl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one is sourced from PubChem (CID 71154928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).