6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C16H14N2O2 — CID 138051431

IUPAC6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ncccc1-c1ccc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C16H14N2O2/c1-20-14-11(3-2-8-17-14)10-4-5-12-13(9-10)18-15(19)16(12)6-7-16/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyAODHINMROBMSIN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.74
Rot. Bonds2

About 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one

6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 138051431) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID138051431
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1ncccc1-c1ccc2c(c1)NC(=O)C21CC1
InChIInChI=1S/C16H14N2O2/c1-20-14-11(3-2-8-17-14)10-4-5-12-13(9-10)18-15(19)16(12)6-7-16/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyAODHINMROBMSIN-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 138051431) is 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is COc1ncccc1-c1ccc2c(c1)NC(=O)C21CC1.
What is the InChIKey of 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is AODHINMROBMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-14-11(3-2-8-17-14)10-4-5-12-13(9-10)18-15(19)16(12)6-7-16/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 138051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).