(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one

C17H14ClNO2 — CID 132967822

IUPAC(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESCC1CC1c1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)o1
InChIInChI=1S/C17H14ClNO2/c1-9-6-13(9)16-5-3-11(21-16)8-14-12-4-2-10(18)7-15(12)19-17(14)20/h2-5,7-9,13H,6H2,1H3,(H,19,20)/b14-8-
InChIKeyIPLOOOCGQKNXJE-ZSOIEALJSA-N
MW299.76 g/mol
LogP4.55
Rot. Bonds2

About (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one

(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one (PubChem CID 132967822) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one
PubChem CID132967822
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one
SMILESCC1CC1c1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)o1
InChIInChI=1S/C17H14ClNO2/c1-9-6-13(9)16-5-3-11(21-16)8-14-12-4-2-10(18)7-15(12)19-17(14)20/h2-5,7-9,13H,6H2,1H3,(H,19,20)/b14-8-
InChIKeyIPLOOOCGQKNXJE-ZSOIEALJSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one (CID 132967822) is (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one is CC1CC1c1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)o1.
What is the InChIKey of (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is IPLOOOCGQKNXJE-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-9-6-13(9)16-5-3-11(21-16)8-14-12-4-2-10(18)7-15(12)19-17(14)20/h2-5,7-9,13H,6H2,1H3,(H,19,20)/b14-8-.
What are the key properties of (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one?
(3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 299.76 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 132967822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).