3-(cyclohexylamino)-2,3-dihydroinden-1-one

C15H19NO — CID 42614802

IUPAC3-(cyclohexylamino)-2,3-dihydroinden-1-one
SMILESO=C1CC(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C15H19NO/c17-15-10-14(12-8-4-5-9-13(12)15)16-11-6-2-1-3-7-11/h4-5,8-9,11,14,16H,1-3,6-7,10H2
InChIKeyJZZUZPRNBHHNMQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.24
Rot. Bonds2

About 3-(cyclohexylamino)-2,3-dihydroinden-1-one

3-(cyclohexylamino)-2,3-dihydroinden-1-one (PubChem CID 42614802) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(cyclohexylamino)-2,3-dihydroinden-1-one
PubChem CID42614802
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(cyclohexylamino)-2,3-dihydroinden-1-one
SMILESO=C1CC(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C15H19NO/c17-15-10-14(12-8-4-5-9-13(12)15)16-11-6-2-1-3-7-11/h4-5,8-9,11,14,16H,1-3,6-7,10H2
InChIKeyJZZUZPRNBHHNMQ-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 3-(cyclohexylamino)-2,3-dihydroinden-1-one (CID 42614802) is 3-(cyclohexylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(cyclohexylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(cyclohexylamino)-2,3-dihydroinden-1-one is O=C1CC(NC2CCCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclohexylamino)-2,3-dihydroinden-1-one?
The InChIKey is JZZUZPRNBHHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-10-14(12-8-4-5-9-13(12)15)16-11-6-2-1-3-7-11/h4-5,8-9,11,14,16H,1-3,6-7,10H2.
What are the key properties of 3-(cyclohexylamino)-2,3-dihydroinden-1-one?
3-(cyclohexylamino)-2,3-dihydroinden-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 42614802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).