5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one

C13H16N2O — CID 20587895

IUPAC5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESNc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C13H16N2O/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7,14H2,(H,15,16)
InChIKeyHQQMWMAGFGCMAK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.42
Rot. Bonds

About 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one

5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 20587895) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID20587895
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESNc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C13H16N2O/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7,14H2,(H,15,16)
InChIKeyHQQMWMAGFGCMAK-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one (CID 20587895) is 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one is Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2.
What is the InChIKey of 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is HQQMWMAGFGCMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7,14H2,(H,15,16).
What are the key properties of 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one?
5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 20587895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).