(3E)-6-chloro-3-propylidene-1H-indol-2-one

C11H10ClNO — CID 59774782

IUPAC(3E)-6-chloro-3-propylidene-1H-indol-2-one
SMILESCC/C=C1/C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO/c1-2-3-9-8-5-4-7(12)6-10(8)13-11(9)14/h3-6H,2H2,1H3,(H,13,14)/b9-3+
InChIKeyNTMDIJLHTNCWKX-YCRREMRBSA-N
MW207.66 g/mol
LogP3.09
Rot. Bonds1

About (3E)-6-chloro-3-propylidene-1H-indol-2-one

(3E)-6-chloro-3-propylidene-1H-indol-2-one (PubChem CID 59774782) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (3E)-6-chloro-3-propylidene-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-propylidene-1H-indol-2-one
PubChem CID59774782
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(3E)-6-chloro-3-propylidene-1H-indol-2-one
SMILESCC/C=C1/C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO/c1-2-3-9-8-5-4-7(12)6-10(8)13-11(9)14/h3-6H,2H2,1H3,(H,13,14)/b9-3+
InChIKeyNTMDIJLHTNCWKX-YCRREMRBSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-propylidene-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-propylidene-1H-indol-2-one (CID 59774782) is (3E)-6-chloro-3-propylidene-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-propylidene-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-propylidene-1H-indol-2-one is CC/C=C1/C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3E)-6-chloro-3-propylidene-1H-indol-2-one?
The InChIKey is NTMDIJLHTNCWKX-YCRREMRBSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-3-9-8-5-4-7(12)6-10(8)13-11(9)14/h3-6H,2H2,1H3,(H,13,14)/b9-3+.
What are the key properties of (3E)-6-chloro-3-propylidene-1H-indol-2-one?
(3E)-6-chloro-3-propylidene-1H-indol-2-one has a molecular weight of 207.66 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-propylidene-1H-indol-2-one is sourced from PubChem (CID 59774782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).