1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride

C14H19ClN2O — CID 3042072

IUPAC1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCCN1CCC2(C1)C(=O)Nc1c(C)cccc12.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-3-16-8-7-14(9-16)11-6-4-5-10(2)12(11)15-13(14)17;/h4-6H,3,7-9H2,1-2H3,(H,15,17);1H
InChIKeyPNOSGEDRDWHLQQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.33
Rot. Bonds1

About 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride

1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride (PubChem CID 3042072) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
PubChem CID3042072
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCCN1CCC2(C1)C(=O)Nc1c(C)cccc12.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-3-16-8-7-14(9-16)11-6-4-5-10(2)12(11)15-13(14)17;/h4-6H,3,7-9H2,1-2H3,(H,15,17);1H
InChIKeyPNOSGEDRDWHLQQ-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The IUPAC name of 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride (CID 3042072) is 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride.
What is the SMILES notation for 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The canonical SMILES for 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride is CCN1CCC2(C1)C(=O)Nc1c(C)cccc12.Cl.
What is the InChIKey of 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The InChIKey is PNOSGEDRDWHLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-3-16-8-7-14(9-16)11-6-4-5-10(2)12(11)15-13(14)17;/h4-6H,3,7-9H2,1-2H3,(H,15,17);1H.
What are the key properties of 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-7-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride is sourced from PubChem (CID 3042072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).