3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one

C25H22N4O — CID 135478235

IUPAC3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H22N4O/c30-25-23(21-11-5-6-12-22(21)26-25)27-29-15-13-28(14-16-29)24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-12,24H,13-16H2,(H,26,27,30)
InChIKeySVHVWKFCWQBNLZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.73
Rot. Bonds2

About 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one

3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one (PubChem CID 135478235) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
PubChem CID135478235
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H22N4O/c30-25-23(21-11-5-6-12-22(21)26-25)27-29-15-13-28(14-16-29)24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-12,24H,13-16H2,(H,26,27,30)
InChIKeySVHVWKFCWQBNLZ-UHFFFAOYSA-N
XLogP3.73
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.73
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 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one (CID 135478235) is 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one is O=C1Nc2ccccc2C1=NN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
The InChIKey is SVHVWKFCWQBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25-23(21-11-5-6-12-22(21)26-25)27-29-15-13-28(14-16-29)24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-12,24H,13-16H2,(H,26,27,30).
What are the key properties of 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one?
3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one has a molecular weight of 394.48 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one is sourced from PubChem (CID 135478235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).