4-pyrrolidin-3-yl-1H-indole;hydrochloride

C12H15ClN2 — CID 169498150

IUPAC4-pyrrolidin-3-yl-1H-indole;hydrochloride
SMILESCl.c1cc(C2CCNC2)c2cc[nH]c2c1
InChIInChI=1S/C12H14N2.ClH/c1-2-10(9-4-6-13-8-9)11-5-7-14-12(11)3-1;/h1-3,5,7,9,13-14H,4,6,8H2;1H
InChIKeyKYRREEAUMPKPMW-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.67
Rot. Bonds1

About 4-pyrrolidin-3-yl-1H-indole;hydrochloride

4-pyrrolidin-3-yl-1H-indole;hydrochloride (PubChem CID 169498150) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1H-indole;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1H-indole;hydrochloride
PubChem CID169498150
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name4-pyrrolidin-3-yl-1H-indole;hydrochloride
SMILESCl.c1cc(C2CCNC2)c2cc[nH]c2c1
InChIInChI=1S/C12H14N2.ClH/c1-2-10(9-4-6-13-8-9)11-5-7-14-12(11)3-1;/h1-3,5,7,9,13-14H,4,6,8H2;1H
InChIKeyKYRREEAUMPKPMW-UHFFFAOYSA-N
XLogP2.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-1H-indole;hydrochloride?
The IUPAC name of 4-pyrrolidin-3-yl-1H-indole;hydrochloride (CID 169498150) is 4-pyrrolidin-3-yl-1H-indole;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-3-yl-1H-indole;hydrochloride?
The canonical SMILES for 4-pyrrolidin-3-yl-1H-indole;hydrochloride is Cl.c1cc(C2CCNC2)c2cc[nH]c2c1.
What is the InChIKey of 4-pyrrolidin-3-yl-1H-indole;hydrochloride?
The InChIKey is KYRREEAUMPKPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-2-10(9-4-6-13-8-9)11-5-7-14-12(11)3-1;/h1-3,5,7,9,13-14H,4,6,8H2;1H.
What are the key properties of 4-pyrrolidin-3-yl-1H-indole;hydrochloride?
4-pyrrolidin-3-yl-1H-indole;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1H-indole;hydrochloride is sourced from PubChem (CID 169498150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).