5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

C18H25NO — CID 104687674

IUPAC5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2ccc(C3CC3)cc2)CCC(=O)N1
InChIInChI=1S/C18H25NO/c1-13(2)11-18(10-9-17(20)19-18)12-14-3-5-15(6-4-14)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H,19,20)
InChIKeyXWTZSCJECNQYPG-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.80
Rot. Bonds5

About 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one

5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 104687674) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID104687674
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(Cc2ccc(C3CC3)cc2)CCC(=O)N1
InChIInChI=1S/C18H25NO/c1-13(2)11-18(10-9-17(20)19-18)12-14-3-5-15(6-4-14)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H,19,20)
InChIKeyXWTZSCJECNQYPG-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one (CID 104687674) is 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1(Cc2ccc(C3CC3)cc2)CCC(=O)N1.
What is the InChIKey of 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is XWTZSCJECNQYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)11-18(10-9-17(20)19-18)12-14-3-5-15(6-4-14)16-7-8-16/h3-6,13,16H,7-12H2,1-2H3,(H,19,20).
What are the key properties of 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one?
5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104687674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).