(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one

C15H20N4O — CID 135881263

IUPAC(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)/C(=N\N1CCN(C)CC1)C(=O)N2
InChIInChI=1S/C15H20N4O/c1-10-8-11(2)13-12(9-10)14(15(20)16-13)17-19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3,(H,16,17,20)
InChIKeyKEYIWARGYAXHFK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.21
Rot. Bonds1

About (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one

(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one (PubChem CID 135881263) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
PubChem CID135881263
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)/C(=N\N1CCN(C)CC1)C(=O)N2
InChIInChI=1S/C15H20N4O/c1-10-8-11(2)13-12(9-10)14(15(20)16-13)17-19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3,(H,16,17,20)
InChIKeyKEYIWARGYAXHFK-UHFFFAOYSA-N
XLogP1.21
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one?
The IUPAC name of (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one (CID 135881263) is (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one.
What is the SMILES notation for (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one?
The canonical SMILES for (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one is Cc1cc(C)c2c(c1)/C(=N\N1CCN(C)CC1)C(=O)N2.
What is the InChIKey of (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one?
The InChIKey is KEYIWARGYAXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-8-11(2)13-12(9-10)14(15(20)16-13)17-19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3,(H,16,17,20).
What are the key properties of (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one?
(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one is sourced from PubChem (CID 135881263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).