1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride

C12H18Cl2N2 — CID 53407976

IUPAC1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN2C1CCNC1
InChIInChI=1S/C12H16N2.2ClH/c1-2-4-12-10(3-1)6-8-14(12)11-5-7-13-9-11;;/h1-4,11,13H,5-9H2;2*1H
InChIKeyIISPGFJCBJMNHN-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.25
Rot. Bonds1

About 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride

1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride (PubChem CID 53407976) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
PubChem CID53407976
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN2C1CCNC1
InChIInChI=1S/C12H16N2.2ClH/c1-2-4-12-10(3-1)6-8-14(12)11-5-7-13-9-11;;/h1-4,11,13H,5-9H2;2*1H
InChIKeyIISPGFJCBJMNHN-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride?
The IUPAC name of 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride (CID 53407976) is 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride?
The canonical SMILES for 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride is Cl.Cl.c1ccc2c(c1)CCN2C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride?
The InChIKey is IISPGFJCBJMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.2ClH/c1-2-4-12-10(3-1)6-8-14(12)11-5-7-13-9-11;;/h1-4,11,13H,5-9H2;2*1H.
What are the key properties of 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride?
1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride has a molecular weight of 261.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-2,3-dihydroindole;dihydrochloride is sourced from PubChem (CID 53407976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).