1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one

C16H20N2O — CID 67367403

IUPAC1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H20N2O/c1-2-5-12-8-16(19)18(10-12)11-14-9-13-6-3-4-7-15(13)17-14/h3-4,6-7,9,12,17H,2,5,8,10-11H2,1H3
InChIKeyBKBBDWHAAZQRMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.32
Rot. Bonds4

About 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one

1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one (PubChem CID 67367403) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
PubChem CID67367403
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H20N2O/c1-2-5-12-8-16(19)18(10-12)11-14-9-13-6-3-4-7-15(13)17-14/h3-4,6-7,9,12,17H,2,5,8,10-11H2,1H3
InChIKeyBKBBDWHAAZQRMF-UHFFFAOYSA-N
XLogP3.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one?
The IUPAC name of 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one (CID 67367403) is 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2cc3ccccc3[nH]2)C1.
What is the InChIKey of 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one?
The InChIKey is BKBBDWHAAZQRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-12-8-16(19)18(10-12)11-14-9-13-6-3-4-7-15(13)17-14/h3-4,6-7,9,12,17H,2,5,8,10-11H2,1H3.
What are the key properties of 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one?
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 67367403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).