1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C16H18N4O — CID 134790889

IUPAC1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1nccc1CN1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H18N4O/c1-19-12(6-8-17-19)10-20-9-7-16(11-20)13-4-2-3-5-14(13)18-15(16)21/h2-6,8H,7,9-11H2,1H3,(H,18,21)
InChIKeyMWORYZSFZMDLKW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.52
Rot. Bonds2

About 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 134790889) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID134790889
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1nccc1CN1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H18N4O/c1-19-12(6-8-17-19)10-20-9-7-16(11-20)13-4-2-3-5-14(13)18-15(16)21/h2-6,8H,7,9-11H2,1H3,(H,18,21)
InChIKeyMWORYZSFZMDLKW-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 134790889) is 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1nccc1CN1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MWORYZSFZMDLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-12(6-8-17-19)10-20-9-7-16(11-20)13-4-2-3-5-14(13)18-15(16)21/h2-6,8H,7,9-11H2,1H3,(H,18,21).
What are the key properties of 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 282.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methylpyrazol-3-yl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134790889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).