1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride

C14H19ClN2O — CID 3042074

IUPAC1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCCCN1CCC2(C1)C(=O)Nc1ccccc12.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-2-8-16-9-7-14(10-16)11-5-3-4-6-12(11)15-13(14)17;/h3-6H,2,7-10H2,1H3,(H,15,17);1H
InChIKeyKPXRIMTXJXZFJA-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.41
Rot. Bonds2

About 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride

1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride (PubChem CID 3042074) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
PubChem CID3042074
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
SMILESCCCN1CCC2(C1)C(=O)Nc1ccccc12.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-2-8-16-9-7-14(10-16)11-5-3-4-6-12(11)15-13(14)17;/h3-6H,2,7-10H2,1H3,(H,15,17);1H
InChIKeyKPXRIMTXJXZFJA-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The IUPAC name of 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride (CID 3042074) is 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride.
What is the SMILES notation for 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The canonical SMILES for 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride is CCCN1CCC2(C1)C(=O)Nc1ccccc12.Cl.
What is the InChIKey of 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
The InChIKey is KPXRIMTXJXZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-2-8-16-9-7-14(10-16)11-5-3-4-6-12(11)15-13(14)17;/h3-6H,2,7-10H2,1H3,(H,15,17);1H.
What are the key properties of 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride?
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride is sourced from PubChem (CID 3042074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).