spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one

C16H20N2O — CID 90730277

IUPACspiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one
SMILESO=C1CC2CC3(CCNCC3)C3C=CC=CC3=C2N1
InChIInChI=1S/C16H20N2O/c19-14-9-11-10-16(5-7-17-8-6-16)13-4-2-1-3-12(13)15(11)18-14/h1-4,11,13,17H,5-10H2,(H,18,19)
InChIKeyUHLJKZXHRDGQPT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.89
Rot. Bonds

About spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one

spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one (PubChem CID 90730277) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one.

Molecular Properties

Compound Namespiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one
PubChem CID90730277
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Namespiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one
SMILESO=C1CC2CC3(CCNCC3)C3C=CC=CC3=C2N1
InChIInChI=1S/C16H20N2O/c19-14-9-11-10-16(5-7-17-8-6-16)13-4-2-1-3-12(13)15(11)18-14/h1-4,11,13,17H,5-10H2,(H,18,19)
InChIKeyUHLJKZXHRDGQPT-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one?
The IUPAC name of spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one (CID 90730277) is spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one.
What is the SMILES notation for spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one?
The canonical SMILES for spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one is O=C1CC2CC3(CCNCC3)C3C=CC=CC3=C2N1.
What is the InChIKey of spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one?
The InChIKey is UHLJKZXHRDGQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-14-9-11-10-16(5-7-17-8-6-16)13-4-2-1-3-12(13)15(11)18-14/h1-4,11,13,17H,5-10H2,(H,18,19).
What are the key properties of spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one?
spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one has a molecular weight of 256.35 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,3a,4,5a-tetrahydro-1H-benzo[g]indole-5,4'-piperidine]-2-one is sourced from PubChem (CID 90730277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).