(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one

C16H20N2O — CID 93009561

IUPAC(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
SMILESCCC[C@@H]1CC(=O)N(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C16H20N2O/c1-2-4-12-9-15(19)18(10-12)11-14-6-3-5-13-7-8-17-16(13)14/h3,5-8,12,17H,2,4,9-11H2,1H3/t12-/m1/s1
InChIKeyVLJHCGKZTFFDQU-GFCCVEGCSA-N
MW256.35 g/mol
LogP3.32
Rot. Bonds4

About (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one

(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one (PubChem CID 93009561) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
PubChem CID93009561
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
SMILESCCC[C@@H]1CC(=O)N(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C16H20N2O/c1-2-4-12-9-15(19)18(10-12)11-14-6-3-5-13-7-8-17-16(13)14/h3,5-8,12,17H,2,4,9-11H2,1H3/t12-/m1/s1
InChIKeyVLJHCGKZTFFDQU-GFCCVEGCSA-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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Related Compounds

1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671119
4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
CID 168501798
1-[2-(1H-indol-7-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670983
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512683
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
CID 107353265
4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 104512672
1-[(2-amino-6-bromophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510848

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one?
The IUPAC name of (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one (CID 93009561) is (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one?
The canonical SMILES for (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one is CCC[C@@H]1CC(=O)N(Cc2cccc3cc[nH]c23)C1.
What is the InChIKey of (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one?
The InChIKey is VLJHCGKZTFFDQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-4-12-9-15(19)18(10-12)11-14-6-3-5-13-7-8-17-16(13)14/h3,5-8,12,17H,2,4,9-11H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one?
(4R)-1-(1H-indol-7-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 (4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one is sourced from PubChem (CID 93009561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).