(3Z)-3-ethylidene-4-methyl-1H-indol-2-one

C11H11NO — CID 58635316

IUPAC(3Z)-3-ethylidene-4-methyl-1H-indol-2-one
SMILESC/C=C1\C(=O)Nc2cccc(C)c21
InChIInChI=1S/C11H11NO/c1-3-8-10-7(2)5-4-6-9(10)12-11(8)13/h3-6H,1-2H3,(H,12,13)/b8-3-
InChIKeyRKQQPHKBKPPYCI-BAQGIRSFSA-N
MW173.21 g/mol
LogP2.35
Rot. Bonds

About (3Z)-3-ethylidene-4-methyl-1H-indol-2-one

(3Z)-3-ethylidene-4-methyl-1H-indol-2-one (PubChem CID 58635316) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4-methyl-1H-indol-2-one
PubChem CID58635316
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(3Z)-3-ethylidene-4-methyl-1H-indol-2-one
SMILESC/C=C1\C(=O)Nc2cccc(C)c21
InChIInChI=1S/C11H11NO/c1-3-8-10-7(2)5-4-6-9(10)12-11(8)13/h3-6H,1-2H3,(H,12,13)/b8-3-
InChIKeyRKQQPHKBKPPYCI-BAQGIRSFSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.35
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

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(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one
CID 142017800
3-[2,4-dimethyl-5-[(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 69032764
3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 54410054
ethyl 3-[(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
CID 67281447
5-methyl-1H-quinoline-2,4-dione
CID 131700013
(3Z)-4-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 143515088
(3Z)-4-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 11482682
ethyl (2E)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetate
CID 102205950
(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one
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3-(2,6-dimethylphenyl)-4-methylpyrrole-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-4-methyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-ethylidene-4-methyl-1H-indol-2-one (CID 58635316) is (3Z)-3-ethylidene-4-methyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-ethylidene-4-methyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-ethylidene-4-methyl-1H-indol-2-one is C/C=C1\C(=O)Nc2cccc(C)c21.
What is the InChIKey of (3Z)-3-ethylidene-4-methyl-1H-indol-2-one?
The InChIKey is RKQQPHKBKPPYCI-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-8-10-7(2)5-4-6-9(10)12-11(8)13/h3-6H,1-2H3,(H,12,13)/b8-3-.
What are the key properties of (3Z)-3-ethylidene-4-methyl-1H-indol-2-one?
(3Z)-3-ethylidene-4-methyl-1H-indol-2-one has a molecular weight of 173.21 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4-methyl-1H-indol-2-one is sourced from PubChem (CID 58635316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).