(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one

C19H21NOS — CID 126115944

IUPAC(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCCc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)s1
InChIInChI=1S/C19H21NOS/c1-4-14-9-10-15(22-14)11-17-16-7-5-6-8-18(16)20(19(17)21)12-13(2)3/h5-11,13H,4,12H2,1-3H3/b17-11-
InChIKeyIGOGTVVCKIRZIV-BOPFTXTBSA-N
MW311.45 g/mol
LogP4.85
Rot. Bonds4

About (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one

(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one (PubChem CID 126115944) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one
PubChem CID126115944
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCCc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)s1
InChIInChI=1S/C19H21NOS/c1-4-14-9-10-15(22-14)11-17-16-7-5-6-8-18(16)20(19(17)21)12-13(2)3/h5-11,13H,4,12H2,1-3H3/b17-11-
InChIKeyIGOGTVVCKIRZIV-BOPFTXTBSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126120865
(3Z)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126405
(3Z)-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126128601
(3Z)-3-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126118417
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126127322
(3Z)-3-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126122608
(3Z)-3-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126121163
(3Z)-3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126060
(3Z)-3-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126116199
(3Z)-3-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126128596

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
The IUPAC name of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one (CID 126115944) is (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one is CCc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)s1.
What is the InChIKey of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
The InChIKey is IGOGTVVCKIRZIV-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H21NOS/c1-4-14-9-10-15(22-14)11-17-16-7-5-6-8-18(16)20(19(17)21)12-13(2)3/h5-11,13H,4,12H2,1-3H3/b17-11-.
What are the key properties of (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one has a molecular weight of 311.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 126115944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).