1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone

C14H18N2O — CID 3048936

IUPAC1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C)C2)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-11(17)16-10-14(7-8-15(2)9-14)12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3
InChIKeyNFKVONBKZSTPAZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.63
Rot. Bonds

About 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone

1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone (PubChem CID 3048936) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone
PubChem CID3048936
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C)C2)c2ccccc21
InChIInChI=1S/C14H18N2O/c1-11(17)16-10-14(7-8-15(2)9-14)12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3
InChIKeyNFKVONBKZSTPAZ-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone?
The IUPAC name of 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone (CID 3048936) is 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone.
What is the SMILES notation for 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone?
The canonical SMILES for 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone is CC(=O)N1CC2(CCN(C)C2)c2ccccc21.
What is the InChIKey of 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone?
The InChIKey is NFKVONBKZSTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(17)16-10-14(7-8-15(2)9-14)12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone?
1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-methylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)ethanone is sourced from PubChem (CID 3048936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).