(3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one

C19H17ClN2O — CID 13339523

IUPAC(3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one
SMILESO=C1/C(=C\N2CCCC2)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O/c20-14-6-5-7-15(12-14)22-18-9-2-1-8-16(18)17(19(22)23)13-21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2/b17-13-
InChIKeyVTVHMLCZDIQHQZ-LGMDPLHJSA-N
MW324.81 g/mol
LogP4.45
Rot. Bonds2

About (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one

(3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one (PubChem CID 13339523) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one
PubChem CID13339523
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one
SMILESO=C1/C(=C\N2CCCC2)c2ccccc2N1c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O/c20-14-6-5-7-15(12-14)22-18-9-2-1-8-16(18)17(19(22)23)13-21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2/b17-13-
InChIKeyVTVHMLCZDIQHQZ-LGMDPLHJSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one?
The IUPAC name of (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one (CID 13339523) is (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one is O=C1/C(=C\N2CCCC2)c2ccccc2N1c1cccc(Cl)c1.
What is the InChIKey of (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one?
The InChIKey is VTVHMLCZDIQHQZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-14-6-5-7-15(12-14)22-18-9-2-1-8-16(18)17(19(22)23)13-21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2/b17-13-.
What are the key properties of (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one?
(3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one has a molecular weight of 324.81 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(3-chlorophenyl)-3-(pyrrolidin-1-ylmethylidene)indol-2-one is sourced from PubChem (CID 13339523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).