(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one

C18H17ClN2O — CID 13339457

IUPAC(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one
SMILESC/C(=C1/C(=O)N(c2cccc(Cl)c2)c2ccccc21)N(C)C
InChIInChI=1S/C18H17ClN2O/c1-12(20(2)3)17-15-9-4-5-10-16(15)21(18(17)22)14-8-6-7-13(19)11-14/h4-11H,1-3H3/b17-12-
InChIKeyGVQGNOSDSTVLIW-ATVHPVEESA-N
MW312.80 g/mol
LogP4.31
Rot. Bonds2

About (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one

(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one (PubChem CID 13339457) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one
PubChem CID13339457
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one
SMILESC/C(=C1/C(=O)N(c2cccc(Cl)c2)c2ccccc21)N(C)C
InChIInChI=1S/C18H17ClN2O/c1-12(20(2)3)17-15-9-4-5-10-16(15)21(18(17)22)14-8-6-7-13(19)11-14/h4-11H,1-3H3/b17-12-
InChIKeyGVQGNOSDSTVLIW-ATVHPVEESA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one?
The IUPAC name of (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one (CID 13339457) is (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one?
The canonical SMILES for (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one is C/C(=C1/C(=O)N(c2cccc(Cl)c2)c2ccccc21)N(C)C.
What is the InChIKey of (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one?
The InChIKey is GVQGNOSDSTVLIW-ATVHPVEESA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12(20(2)3)17-15-9-4-5-10-16(15)21(18(17)22)14-8-6-7-13(19)11-14/h4-11H,1-3H3/b17-12-.
What are the key properties of (3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one?
(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one has a molecular weight of 312.80 g/mol, XLogP of 4.31, 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-[1-(dimethylamino)ethylidene]indol-2-one is sourced from PubChem (CID 13339457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).