(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one

C17H17NO2 — CID 126120532

IUPAC(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccco2)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-12(2)11-18-16-8-4-3-7-14(16)15(17(18)19)10-13-6-5-9-20-13/h3-10,12H,11H2,1-2H3/b15-10-
InChIKeyGLBVXKLWTQRUGD-GDNBJRDFSA-N
MW267.33 g/mol
LogP3.82
Rot. Bonds3

About (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one

(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one (PubChem CID 126120532) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
PubChem CID126120532
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccco2)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-12(2)11-18-16-8-4-3-7-14(16)15(17(18)19)10-13-6-5-9-20-13/h3-10,12H,11H2,1-2H3/b15-10-
InChIKeyGLBVXKLWTQRUGD-GDNBJRDFSA-N
XLogP3.82
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126115944
(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
CID 10729540
(3Z)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126127322
(3Z)-3-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126118417
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
CID 6305986
(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126120865
(2E)-7-amino-2-(furan-2-ylmethylidene)-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 28862036
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 27718674
(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119
(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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one?
The IUPAC name of (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one (CID 126120532) is (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one is CC(C)CN1C(=O)/C(=C\c2ccco2)c2ccccc21.
What is the InChIKey of (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one?
The InChIKey is GLBVXKLWTQRUGD-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(2)11-18-16-8-4-3-7-14(16)15(17(18)19)10-13-6-5-9-20-13/h3-10,12H,11H2,1-2H3/b15-10-.
What are the key properties of (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one?
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 126120532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).