ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C18H22N2O — CID 143851646

IUPACethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC.CC1C=C2CC3(CC2=CC1)C(=O)Nc1ncccc13
InChIInChI=1S/C16H16N2O.C2H6/c1-10-4-5-11-8-16(9-12(11)7-10)13-3-2-6-17-14(13)18-15(16)19;1-2/h2-3,5-7,10H,4,8-9H2,1H3,(H,17,18,19);1-2H3
InChIKeyPSLBBZPCBYSARZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.98
Rot. Bonds

About ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 143851646) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

Compound Nameethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
PubChem CID143851646
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Nameethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SMILESCC.CC1C=C2CC3(CC2=CC1)C(=O)Nc1ncccc13
InChIInChI=1S/C16H16N2O.C2H6/c1-10-4-5-11-8-16(9-12(11)7-10)13-3-2-6-17-14(13)18-15(16)19;1-2/h2-3,5-7,10H,4,8-9H2,1H3,(H,17,18,19);1-2H3
InChIKeyPSLBBZPCBYSARZ-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The IUPAC name of ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 143851646) is ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.
What is the SMILES notation for ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The canonical SMILES for ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is CC.CC1C=C2CC3(CC2=CC1)C(=O)Nc1ncccc13.
What is the InChIKey of ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
The InChIKey is PSLBBZPCBYSARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.C2H6/c1-10-4-5-11-8-16(9-12(11)7-10)13-3-2-6-17-14(13)18-15(16)19;1-2/h2-3,5-7,10H,4,8-9H2,1H3,(H,17,18,19);1-2H3.
What are the key properties of ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?
ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 282.39 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylspiro[1,3,5,6-tetrahydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 143851646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).