1-(2-methylphenyl)pyrrolidin-3-one

C11H13NO — CID 23052785

IUPAC1-(2-methylphenyl)pyrrolidin-3-one
SMILESCc1ccccc1N1CCC(=O)C1
InChIInChI=1S/C11H13NO/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-12/h2-5H,6-8H2,1H3
InChIKeyKKMKVRZTXAPKDF-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.77
Rot. Bonds1

About 1-(2-methylphenyl)pyrrolidin-3-one

1-(2-methylphenyl)pyrrolidin-3-one (PubChem CID 23052785) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2-methylphenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-methylphenyl)pyrrolidin-3-one
PubChem CID23052785
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(2-methylphenyl)pyrrolidin-3-one
SMILESCc1ccccc1N1CCC(=O)C1
InChIInChI=1S/C11H13NO/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-12/h2-5H,6-8H2,1H3
InChIKeyKKMKVRZTXAPKDF-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)pyrrolidin-3-one?
The IUPAC name of 1-(2-methylphenyl)pyrrolidin-3-one (CID 23052785) is 1-(2-methylphenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2-methylphenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2-methylphenyl)pyrrolidin-3-one is Cc1ccccc1N1CCC(=O)C1.
What is the InChIKey of 1-(2-methylphenyl)pyrrolidin-3-one?
The InChIKey is KKMKVRZTXAPKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-12/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2-methylphenyl)pyrrolidin-3-one?
1-(2-methylphenyl)pyrrolidin-3-one has a molecular weight of 175.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)pyrrolidin-3-one is sourced from PubChem (CID 23052785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).