(3E)-3-(3-methylbutylidene)-1H-indol-2-one

C13H15NO — CID 6989941

IUPAC(3E)-3-(3-methylbutylidene)-1H-indol-2-one
SMILESCC(C)C/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C13H15NO/c1-9(2)7-8-11-10-5-3-4-6-12(10)14-13(11)15/h3-6,8-9H,7H2,1-2H3,(H,14,15)/b11-8+
InChIKeyDYXCXHPWXCFBHM-DHZHZOJOSA-N
MW201.27 g/mol
LogP3.07
Rot. Bonds2

About (3E)-3-(3-methylbutylidene)-1H-indol-2-one

(3E)-3-(3-methylbutylidene)-1H-indol-2-one (PubChem CID 6989941) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (3E)-3-(3-methylbutylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(3-methylbutylidene)-1H-indol-2-one
PubChem CID6989941
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(3E)-3-(3-methylbutylidene)-1H-indol-2-one
SMILESCC(C)C/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C13H15NO/c1-9(2)7-8-11-10-5-3-4-6-12(10)14-13(11)15/h3-6,8-9H,7H2,1-2H3,(H,14,15)/b11-8+
InChIKeyDYXCXHPWXCFBHM-DHZHZOJOSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3E)-3-[(4-methylpiperazin-1-yl)methylidene]-1H-indol-2-one
CID 113195888
3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one
CID 70121084
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
CID 163155804
(3S)-3-methyl-3-(2-methylpropyl)-1,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71307997

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3-methylbutylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(3-methylbutylidene)-1H-indol-2-one (CID 6989941) is (3E)-3-(3-methylbutylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(3-methylbutylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(3-methylbutylidene)-1H-indol-2-one is CC(C)C/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-(3-methylbutylidene)-1H-indol-2-one?
The InChIKey is DYXCXHPWXCFBHM-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)7-8-11-10-5-3-4-6-12(10)14-13(11)15/h3-6,8-9H,7H2,1-2H3,(H,14,15)/b11-8+.
What are the key properties of (3E)-3-(3-methylbutylidene)-1H-indol-2-one?
(3E)-3-(3-methylbutylidene)-1H-indol-2-one has a molecular weight of 201.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-methylbutylidene)-1H-indol-2-one is sourced from PubChem (CID 6989941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).