(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone

C21H22N2O — CID 58017202

IUPAC(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone
SMILESCn1ccc2cc(C(=O)C3(Cc4ccccc4)CCNC3)ccc21
InChIInChI=1S/C21H22N2O/c1-23-12-9-17-13-18(7-8-19(17)23)20(24)21(10-11-22-15-21)14-16-5-3-2-4-6-16/h2-9,12-13,22H,10-11,14-15H2,1H3
InChIKeySAHJMWFRKFDFOZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.58
Rot. Bonds4

About (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone

(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone (PubChem CID 58017202) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone
PubChem CID58017202
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone
SMILESCn1ccc2cc(C(=O)C3(Cc4ccccc4)CCNC3)ccc21
InChIInChI=1S/C21H22N2O/c1-23-12-9-17-13-18(7-8-19(17)23)20(24)21(10-11-22-15-21)14-16-5-3-2-4-6-16/h2-9,12-13,22H,10-11,14-15H2,1H3
InChIKeySAHJMWFRKFDFOZ-UHFFFAOYSA-N
XLogP3.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone?
The IUPAC name of (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone (CID 58017202) is (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone.
What is the SMILES notation for (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone?
The canonical SMILES for (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone is Cn1ccc2cc(C(=O)C3(Cc4ccccc4)CCNC3)ccc21.
What is the InChIKey of (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone?
The InChIKey is SAHJMWFRKFDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-23-12-9-17-13-18(7-8-19(17)23)20(24)21(10-11-22-15-21)14-16-5-3-2-4-6-16/h2-9,12-13,22H,10-11,14-15H2,1H3.
What are the key properties of (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone?
(3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-3-yl)-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 58017202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).