1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one

C14H19NO — CID 117016911

IUPAC1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
SMILESCc1cccc(N2CCC(=O)C2(C)C)c1C
InChIInChI=1S/C14H19NO/c1-10-6-5-7-12(11(10)2)15-9-8-13(16)14(15,3)4/h5-7H,8-9H2,1-4H3
InChIKeyRGNLXTBSNOADSN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.86
Rot. Bonds1

About 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one

1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one (PubChem CID 117016911) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
PubChem CID117016911
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
SMILESCc1cccc(N2CCC(=O)C2(C)C)c1C
InChIInChI=1S/C14H19NO/c1-10-6-5-7-12(11(10)2)15-9-8-13(16)14(15,3)4/h5-7H,8-9H2,1-4H3
InChIKeyRGNLXTBSNOADSN-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one
CID 117019137
4-(2,3-dimethylphenyl)piperazine-2,6-dione
CID 63787849
4-(2,3-dimethylphenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023483
1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020027
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020696
1-(2,3-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64958545
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019795
2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one
CID 118065290
4-(2,3-dimethylphenyl)-1,4-diazocan-5-one
CID 117015352

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one (CID 117016911) is 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one is Cc1cccc(N2CCC(=O)C2(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one?
The InChIKey is RGNLXTBSNOADSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-6-5-7-12(11(10)2)15-9-8-13(16)14(15,3)4/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one?
1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 117016911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).