5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one

C16H14ClNO2 — CID 56984456

IUPAC5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)o1
InChIInChI=1S/C16H14ClNO2/c1-10-2-4-12(20-10)9-14-13-8-11(6-7-17)3-5-15(13)18-16(14)19/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyVVOZVNNPPNIXDO-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.86
Rot. Bonds3

About 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one

5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one (PubChem CID 56984456) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
PubChem CID56984456
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
SMILESCc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)o1
InChIInChI=1S/C16H14ClNO2/c1-10-2-4-12(20-10)9-14-13-8-11(6-7-17)3-5-15(13)18-16(14)19/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyVVOZVNNPPNIXDO-UHFFFAOYSA-N
XLogP3.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one (CID 56984456) is 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one is Cc1ccc(C=C2C(=O)Nc3ccc(CCCl)cc32)o1.
What is the InChIKey of 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is VVOZVNNPPNIXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-10-2-4-12(20-10)9-14-13-8-11(6-7-17)3-5-15(13)18-16(14)19/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one?
5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 56984456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).