1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one

C15H21NO2 — CID 71272808

IUPAC1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one
SMILESCC(C)C(=O)C1CC(=O)N(CCC2=CC=CC2)C1
InChIInChI=1S/C15H21NO2/c1-11(2)15(18)13-9-14(17)16(10-13)8-7-12-5-3-4-6-12/h3-5,11,13H,6-10H2,1-2H3
InChIKeyJAHLMWUFGVMMDN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one

1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one (PubChem CID 71272808) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one
PubChem CID71272808
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one
SMILESCC(C)C(=O)C1CC(=O)N(CCC2=CC=CC2)C1
InChIInChI=1S/C15H21NO2/c1-11(2)15(18)13-9-14(17)16(10-13)8-7-12-5-3-4-6-12/h3-5,11,13H,6-10H2,1-2H3
InChIKeyJAHLMWUFGVMMDN-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one (CID 71272808) is 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one is CC(C)C(=O)C1CC(=O)N(CCC2=CC=CC2)C1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one?
The InChIKey is JAHLMWUFGVMMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)15(18)13-9-14(17)16(10-13)8-7-12-5-3-4-6-12/h3-5,11,13H,6-10H2,1-2H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one?
1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylethyl)-4-(2-methylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 71272808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).