4,4-dimethyl-1-phenacylpyrrolidin-2-one

C14H17NO2 — CID 176908615

IUPAC4,4-dimethyl-1-phenacylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(CC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17NO2/c1-14(2)8-13(17)15(10-14)9-12(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyYNLVNQLHTRMUDP-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.13
Rot. Bonds3

About 4,4-dimethyl-1-phenacylpyrrolidin-2-one

4,4-dimethyl-1-phenacylpyrrolidin-2-one (PubChem CID 176908615) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-phenacylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-phenacylpyrrolidin-2-one
PubChem CID176908615
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4,4-dimethyl-1-phenacylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(CC(=O)c2ccccc2)C1
InChIInChI=1S/C14H17NO2/c1-14(2)8-13(17)15(10-14)9-12(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyYNLVNQLHTRMUDP-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
The IUPAC name of 4,4-dimethyl-1-phenacylpyrrolidin-2-one (CID 176908615) is 4,4-dimethyl-1-phenacylpyrrolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-phenacylpyrrolidin-2-one is CC1(C)CC(=O)N(CC(=O)c2ccccc2)C1.
What is the InChIKey of 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
The InChIKey is YNLVNQLHTRMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)8-13(17)15(10-14)9-12(16)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-phenacylpyrrolidin-2-one?
4,4-dimethyl-1-phenacylpyrrolidin-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-phenacylpyrrolidin-2-one is sourced from PubChem (CID 176908615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).