(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride

C20H21ClN2O — CID 66688221

IUPAC(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1
InChIInChI=1S/C20H20N2O.ClH/c23-19(17-6-7-18-16(12-17)8-10-22-18)20(9-11-21-14-20)13-15-4-2-1-3-5-15;/h1-8,10,12,21-22H,9,11,13-14H2;1H
InChIKeyMVZJAILLWPJNKK-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.99
Rot. Bonds4

About (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride

(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride (PubChem CID 66688221) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
PubChem CID66688221
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1
InChIInChI=1S/C20H20N2O.ClH/c23-19(17-6-7-18-16(12-17)8-10-22-18)20(9-11-21-14-20)13-15-4-2-1-3-5-15;/h1-8,10,12,21-22H,9,11,13-14H2;1H
InChIKeyMVZJAILLWPJNKK-UHFFFAOYSA-N
XLogP3.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride?
The IUPAC name of (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride (CID 66688221) is (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride.
What is the SMILES notation for (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride?
The canonical SMILES for (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride is Cl.O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1.
What is the InChIKey of (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride?
The InChIKey is MVZJAILLWPJNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.ClH/c23-19(17-6-7-18-16(12-17)8-10-22-18)20(9-11-21-14-20)13-15-4-2-1-3-5-15;/h1-8,10,12,21-22H,9,11,13-14H2;1H.
What are the key properties of (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride?
(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 66688221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).