5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one

C15H22N2O — CID 107529499

IUPAC5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1NCC1CCC(=O)N1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-6-4-5-7-13(12)16-10-11-8-9-14(18)17-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyQYGFMFAIIOBXLP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds3

About 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one

5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one (PubChem CID 107529499) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one
PubChem CID107529499
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1NCC1CCC(=O)N1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-6-4-5-7-13(12)16-10-11-8-9-14(18)17-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyQYGFMFAIIOBXLP-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one (CID 107529499) is 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one is CC(C)(C)c1ccccc1NCC1CCC(=O)N1.
What is the InChIKey of 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one?
The InChIKey is QYGFMFAIIOBXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)12-6-4-5-7-13(12)16-10-11-8-9-14(18)17-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one?
5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).