(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one

C15H19N3O — CID 113217895

IUPAC(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
SMILESCN1CCN(/C=C2\C(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C15H19N3O/c1-16-7-9-18(10-8-16)11-13-12-5-3-4-6-14(12)17(2)15(13)19/h3-6,11H,7-10H2,1-2H3/b13-11-
InChIKeyJXFJEOCOFLDODY-QBFSEMIESA-N
MW257.34 g/mol
LogP1.25
Rot. Bonds1

About (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one

(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one (PubChem CID 113217895) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
PubChem CID113217895
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
SMILESCN1CCN(/C=C2\C(=O)N(C)c3ccccc32)CC1
InChIInChI=1S/C15H19N3O/c1-16-7-9-18(10-8-16)11-13-12-5-3-4-6-14(12)17(2)15(13)19/h3-6,11H,7-10H2,1-2H3/b13-11-
InChIKeyJXFJEOCOFLDODY-QBFSEMIESA-N
XLogP1.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one (CID 113217895) is (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one is CN1CCN(/C=C2\C(=O)N(C)c3ccccc32)CC1.
What is the InChIKey of (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one?
The InChIKey is JXFJEOCOFLDODY-QBFSEMIESA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-7-9-18(10-8-16)11-13-12-5-3-4-6-14(12)17(2)15(13)19/h3-6,11H,7-10H2,1-2H3/b13-11-.
What are the key properties of (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one?
(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one is sourced from PubChem (CID 113217895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).