(3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one

C19H17ClN2O — CID 70358883

IUPAC(3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one
SMILESCN1CCC/C1=C1\C(=O)N(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O/c1-21-11-5-8-16(21)18-15-10-9-13(20)12-17(15)22(19(18)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3/b18-16+
InChIKeyPZHOLNGYBPIXBF-FBMGVBCBSA-N
MW324.81 g/mol
LogP4.45
Rot. Bonds1

About (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one

(3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one (PubChem CID 70358883) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one
PubChem CID70358883
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one
SMILESCN1CCC/C1=C1\C(=O)N(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O/c1-21-11-5-8-16(21)18-15-10-9-13(20)12-17(15)22(19(18)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3/b18-16+
InChIKeyPZHOLNGYBPIXBF-FBMGVBCBSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one?
The IUPAC name of (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one (CID 70358883) is (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one?
The canonical SMILES for (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one is CN1CCC/C1=C1\C(=O)N(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one?
The InChIKey is PZHOLNGYBPIXBF-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-21-11-5-8-16(21)18-15-10-9-13(20)12-17(15)22(19(18)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3/b18-16+.
What are the key properties of (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one?
(3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one has a molecular weight of 324.81 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1-phenylindol-2-one is sourced from PubChem (CID 70358883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).