spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione

C12H12N2O2 — CID 54763378

IUPACspiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione
SMILESO=C1CCC2(CC1)C(=O)Nc1cnccc12
InChIInChI=1S/C12H12N2O2/c15-8-1-4-12(5-2-8)9-3-6-13-7-10(9)14-11(12)16/h3,6-7H,1-2,4-5H2,(H,14,16)
InChIKeySVVUMFSLLPNOKU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.41
Rot. Bonds

About spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione

spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione (PubChem CID 54763378) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Namespiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione
PubChem CID54763378
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namespiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione
SMILESO=C1CCC2(CC1)C(=O)Nc1cnccc12
InChIInChI=1S/C12H12N2O2/c15-8-1-4-12(5-2-8)9-3-6-13-7-10(9)14-11(12)16/h3,6-7H,1-2,4-5H2,(H,14,16)
InChIKeySVVUMFSLLPNOKU-UHFFFAOYSA-N
XLogP1.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione (CID 54763378) is spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione is O=C1CCC2(CC1)C(=O)Nc1cnccc12.
What is the InChIKey of spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione?
The InChIKey is SVVUMFSLLPNOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-8-1-4-12(5-2-8)9-3-6-13-7-10(9)14-11(12)16/h3,6-7H,1-2,4-5H2,(H,14,16).
What are the key properties of spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione?
spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione has a molecular weight of 216.24 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 54763378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).